1-butyl-4-(trifluoromethyl)quinolin-2-one

C14H14F3NO — CID 91434703

IUPAC1-butyl-4-(trifluoromethyl)quinolin-2-one
SMILESCCCCn1c(=O)cc(C(F)(F)F)c2ccccc21
InChIInChI=1S/C14H14F3NO/c1-2-3-8-18-12-7-5-4-6-10(12)11(9-13(18)19)14(15,16)17/h4-7,9H,2-3,8H2,1H3
InChIKeyYCKZGEOMSNCCLN-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.82
Rot. Bonds3

About 1-butyl-4-(trifluoromethyl)quinolin-2-one

1-butyl-4-(trifluoromethyl)quinolin-2-one (PubChem CID 91434703) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-butyl-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name1-butyl-4-(trifluoromethyl)quinolin-2-one
PubChem CID91434703
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-butyl-4-(trifluoromethyl)quinolin-2-one
SMILESCCCCn1c(=O)cc(C(F)(F)F)c2ccccc21
InChIInChI=1S/C14H14F3NO/c1-2-3-8-18-12-7-5-4-6-10(12)11(9-13(18)19)14(15,16)17/h4-7,9H,2-3,8H2,1H3
InChIKeyYCKZGEOMSNCCLN-UHFFFAOYSA-N
XLogP3.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 1-butyl-4-(trifluoromethyl)quinolin-2-one (CID 91434703) is 1-butyl-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 1-butyl-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 1-butyl-4-(trifluoromethyl)quinolin-2-one is CCCCn1c(=O)cc(C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-butyl-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is YCKZGEOMSNCCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-3-8-18-12-7-5-4-6-10(12)11(9-13(18)19)14(15,16)17/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-butyl-4-(trifluoromethyl)quinolin-2-one?
1-butyl-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 269.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 91434703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).