CAS 1006376-62-0

1 2D Structure

2D Structure

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 Formula	C₁₀H₉F₂NO
Molecular Weight	197.18 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	43.1
Heavy Atom Count	14
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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