6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one

C12H14F3NO — CID 123714512

IUPAC6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
InChIKeyLONZEPBZJRCBOV-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.44
Rot. Bonds1

About 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one

6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 123714512) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID123714512
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
InChIKeyLONZEPBZJRCBOV-UHFFFAOYSA-N
XLogP3.44
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 123714512) is 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(C2CCCCC2)[nH]1.
What is the InChIKey of 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is LONZEPBZJRCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17).
What are the key properties of 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one?
6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 245.24 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 123714512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).