1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one

C16H20F3NO — CID 116578964

IUPAC1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESNC1(CC(=O)Cc2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)13-6-4-5-12(9-13)10-14(21)11-15(20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,20H2
InChIKeyCQWNNXCLVNVJDS-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.87
Rot. Bonds4

About 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one

1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 116578964) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID116578964
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESNC1(CC(=O)Cc2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C16H20F3NO/c17-16(18,19)13-6-4-5-12(9-13)10-14(21)11-15(20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,20H2
InChIKeyCQWNNXCLVNVJDS-UHFFFAOYSA-N
XLogP3.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116600888
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 116578964) is 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one is NC1(CC(=O)Cc2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is CQWNNXCLVNVJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)13-6-4-5-12(9-13)10-14(21)11-15(20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10-11,20H2.
What are the key properties of 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 299.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 116578964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).