(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone

C14H16F3NO — CID 105098763

IUPAC(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1ccc(C(=O)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C14H16F3NO/c1-9-5-6-11(8-18-9)13(19)10-3-2-4-12(7-10)14(15,16)17/h5-6,8,10,12H,2-4,7H2,1H3
InChIKeyINUWWYIPQAWJHV-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.94
Rot. Bonds2

About (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone

(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105098763) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105098763
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1ccc(C(=O)C2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C14H16F3NO/c1-9-5-6-11(8-18-9)13(19)10-3-2-4-12(7-10)14(15,16)17/h5-6,8,10,12H,2-4,7H2,1H3
InChIKeyINUWWYIPQAWJHV-UHFFFAOYSA-N
XLogP3.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(6-methyl-3-pyridinyl)methanone
CID 63155759
(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105124093
6-bicyclo[3.1.0]hexanyl-(6-methyl-3-pyridinyl)methanone
CID 114971615
(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 103133856
(3-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105097261
(2-methylcyclopentyl)-(6-methyl-3-pyridinyl)methanone
CID 107186922
(3-fluoro-4-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129285
N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119515799
[4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
CID 116592296
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
N-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115281171
(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 105098763) is (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone is Cc1ccc(C(=O)C2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is INUWWYIPQAWJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-9-5-6-11(8-18-9)13(19)10-3-2-4-12(7-10)14(15,16)17/h5-6,8,10,12H,2-4,7H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone?
(6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 271.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105098763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).