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

C11H12F3NO — CID 84584960

IUPAC1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-4-5-10(16)15(7-9)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChIKeyAQFHUONDXIWGGH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.67
Rot. Bonds2

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

1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 84584960) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID84584960
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-4-5-10(16)15(7-9)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2
InChIKeyAQFHUONDXIWGGH-UHFFFAOYSA-N
XLogP2.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one (CID 84584960) is 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is AQFHUONDXIWGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)9-4-5-10(16)15(7-9)6-8-2-1-3-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 231.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 84584960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).