1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one

C13H16F3NO — CID 60585635

IUPAC1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-6-7-12(18)17(9-11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeySNUPUXJVFTXHEB-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.45
Rot. Bonds2

About 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one

1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 60585635) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID60585635
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-6-7-12(18)17(9-11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2
InChIKeySNUPUXJVFTXHEB-UHFFFAOYSA-N
XLogP3.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one (CID 60585635) is 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is SNUPUXJVFTXHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-6-7-12(18)17(9-11)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 259.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 60585635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).