800379-62-8

1 2D Structure

2D Structure

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 Formula	C₁₄H₁₈F₃NO
Molecular Weight	273.29 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.2
Heavy Atom Count	19
Formal Charge	0
Complexity	276
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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