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Also known as: 1006376-62-0, (1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide, (1r,2r)-2-(3,4-difluorophenyl)cyclopropane carboxamide, 1006614-51-2, Rel-(1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide, Schembl2397845
Molecular Formula
C10H9F2NO
Molecular Weight
197.18  g/mol
InChI Key
PYEJQVYISBUGDU-NKWVEPMBSA-N

CAS 1006376-62-0
1 2D Structure

CAS 1006376-62-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
2.1.2 InChI
InChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7+/m0/s1
2.1.3 InChI Key
PYEJQVYISBUGDU-NKWVEPMBSA-N
2.1.4 Canonical SMILES
C1C(C1C(=O)N)C2=CC(=C(C=C2)F)F
2.1.5 Isomeric SMILES
C1[C@H]([C@@H]1C(=O)N)C2=CC(=C(C=C2)F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1006376-62-0

2. (1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

3. (1r,2r)-2-(3,4-difluorophenyl)cyclopropane Carboxamide

4. 1006614-51-2

5. Rel-(1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide

6. Schembl2397845

7. Amy3282

8. Dtxsid30657804

9. Mfcd22380631

10. Ac-32549

11. Cs-15280

12. Cs-0009935

13. I11942

2.3 Create Date
2009-09-08
3 Chemical and Physical Properties
Molecular Weight 197.18 g/mol
Molecular Formula C10H9F2NO
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area43.1
Heavy Atom Count14
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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