1-(3,3,3-trifluoropropyl)pyridin-2-one

C8H8F3NO — CID 115582470

IUPAC1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESO=c1ccccn1CCC(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)4-6-12-5-2-1-3-7(12)13/h1-3,5H,4,6H2
InChIKeyXRDKXNBVFSBOKQ-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.80
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyridin-2-one

1-(3,3,3-trifluoropropyl)pyridin-2-one (PubChem CID 115582470) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyridin-2-one
PubChem CID115582470
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESO=c1ccccn1CCC(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)4-6-12-5-2-1-3-7(12)13/h1-3,5H,4,6H2
InChIKeyXRDKXNBVFSBOKQ-UHFFFAOYSA-N
XLogP1.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyridin-2-one?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyridin-2-one (CID 115582470) is 1-(3,3,3-trifluoropropyl)pyridin-2-one.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyridin-2-one?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyridin-2-one is O=c1ccccn1CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyridin-2-one?
The InChIKey is XRDKXNBVFSBOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)4-6-12-5-2-1-3-7(12)13/h1-3,5H,4,6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyridin-2-one?
1-(3,3,3-trifluoropropyl)pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyridin-2-one is sourced from PubChem (CID 115582470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).