1-pentyl-4-(trifluoromethyl)pyridin-2-one

C11H14F3NO — CID 70009002

IUPAC1-pentyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCCCCn1ccc(C(F)(F)F)cc1=O
InChIInChI=1S/C11H14F3NO/c1-2-3-4-6-15-7-5-9(8-10(15)16)11(12,13)14/h5,7-8H,2-4,6H2,1H3
InChIKeyWVOMQKNISKUKLG-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.06
Rot. Bonds4

About 1-pentyl-4-(trifluoromethyl)pyridin-2-one

1-pentyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 70009002) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-pentyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-pentyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID70009002
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-pentyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCCCCn1ccc(C(F)(F)F)cc1=O
InChIInChI=1S/C11H14F3NO/c1-2-3-4-6-15-7-5-9(8-10(15)16)11(12,13)14/h5,7-8H,2-4,6H2,1H3
InChIKeyWVOMQKNISKUKLG-UHFFFAOYSA-N
XLogP3.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-pentyl-4-(trifluoromethyl)pyridin-2-one (CID 70009002) is 1-pentyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-pentyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-pentyl-4-(trifluoromethyl)pyridin-2-one is CCCCCn1ccc(C(F)(F)F)cc1=O.
What is the InChIKey of 1-pentyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is WVOMQKNISKUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-3-4-6-15-7-5-9(8-10(15)16)11(12,13)14/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 1-pentyl-4-(trifluoromethyl)pyridin-2-one?
1-pentyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 70009002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).