azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone

C14H22F3NO — CID 115583695

IUPACazepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCCCCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-8-4-3-7-11(12)13(19)18-9-5-1-2-6-10-18/h11-12H,1-10H2
InChIKeyJKZRGMCMEYEOMC-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.76
Rot. Bonds1

About azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone

azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 115583695) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID115583695
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Nameazepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCCCCC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)12-8-4-3-7-11(12)13(19)18-9-5-1-2-6-10-18/h11-12H,1-10H2
InChIKeyJKZRGMCMEYEOMC-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 97323784
1-pyrrolidin-1-yl-2-[1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 71893538
piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119402656
1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-one
CID 113343194
1,4-diazepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119417244
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103857587
[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 71932492
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 119647074
1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
CID 94628072
[3-(2-bromoethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 114801501
3-amino-1-[2-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 107323011
3-methyl-1-[2-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115731665

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone (CID 115583695) is azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is JKZRGMCMEYEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)12-8-4-3-7-11(12)13(19)18-9-5-1-2-6-10-18/h11-12H,1-10H2.
What are the key properties of azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 277.33 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 115583695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).