2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one

C13H14F3NO — CID 139573660

IUPAC2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESNC1(c2cccc(C(F)(F)F)c2)CCCCC1=O
InChIInChI=1S/C13H14F3NO/c14-13(15,16)10-5-3-4-9(8-10)12(17)7-2-1-6-11(12)18/h3-5,8H,1-2,6-7,17H2
InChIKeyTTYBCJXGBJZKAH-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.00
Rot. Bonds1

About 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one

2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one (PubChem CID 139573660) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
PubChem CID139573660
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
SMILESNC1(c2cccc(C(F)(F)F)c2)CCCCC1=O
InChIInChI=1S/C13H14F3NO/c14-13(15,16)10-5-3-4-9(8-10)12(17)7-2-1-6-11(12)18/h3-5,8H,1-2,6-7,17H2
InChIKeyTTYBCJXGBJZKAH-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-6-hydroxy-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one;hydrochloride
CID 139559114
(2R)-2-(methyliminomethyl)-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156552518
2-[3-(trifluoromethyl)phenyl]spiro[3.5]nonan-2-amine
CID 65007104
2-amino-2-[2-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573709
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 156803398
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
CID 43119035
5-amino-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
CID 80562937
[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate
CID 175467808
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
2-methyl-2-[4-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 135004378

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The IUPAC name of 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one (CID 139573660) is 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one is NC1(c2cccc(C(F)(F)F)c2)CCCCC1=O.
What is the InChIKey of 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
The InChIKey is TTYBCJXGBJZKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)10-5-3-4-9(8-10)12(17)7-2-1-6-11(12)18/h3-5,8H,1-2,6-7,17H2.
What are the key properties of 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one?
2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one has a molecular weight of 257.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 139573660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).