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Also known as: 800379-62-8, O-(4-cyclohexyl-3-(trifluoromethyl)benzyl)hydroxylamine, O-{[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl}hydroxylamine, Schembl1864602, Dtxsid70736581, Amy11271
Molecular Formula
C14H18F3NO
Molecular Weight
273.29  g/mol
InChI Key
RPYLWTHLCAULNA-UHFFFAOYSA-N
FDA UNII
AZ8N7W8NXZ

800379-62-8
1 2D Structure

800379-62-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
2.1.2 InChI
InChI=1S/C14H18F3NO/c15-14(16,17)13-8-10(9-19-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11H,1-5,9,18H2
2.1.3 InChI Key
RPYLWTHLCAULNA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(CC1)C2=C(C=C(C=C2)CON)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
AZ8N7W8NXZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 800379-62-8

2. O-(4-cyclohexyl-3-(trifluoromethyl)benzyl)hydroxylamine

3. O-{[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl}hydroxylamine

4. Schembl1864602

5. Dtxsid70736581

6. Amy11271

7. Akos030604184

8. O-(4-cyclohexyl-3-trifluoromethyl-benzyl)-hydroxylamine

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 273.29 g/mol
Molecular Formula C14H18F3NO
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.2
Heavy Atom Count19
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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