6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one

C11H7F4NO — CID 146567148

IUPAC6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)cc(C(F)(F)F)c2cc(F)ccc21
InChIInChI=1S/C11H7F4NO/c1-16-9-3-2-6(12)4-7(9)8(5-10(16)17)11(13,14)15/h2-5H,1H3
InChIKeyLDJLNTDPXWHCMG-UHFFFAOYSA-N
MW245.18 g/mol
LogP2.70
Rot. Bonds

About 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one

6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one (PubChem CID 146567148) has the molecular formula C11H7F4NO and a molecular weight of 245.18 g/mol. Its IUPAC name is 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one
PubChem CID146567148
Molecular FormulaC11H7F4NO
Molecular Weight245.18 g/mol
Exact Mass245.05
IUPAC Name6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)cc(C(F)(F)F)c2cc(F)ccc21
InChIInChI=1S/C11H7F4NO/c1-16-9-3-2-6(12)4-7(9)8(5-10(16)17)11(13,14)15/h2-5H,1H3
InChIKeyLDJLNTDPXWHCMG-UHFFFAOYSA-N
XLogP2.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one (CID 146567148) is 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one is Cn1c(=O)cc(C(F)(F)F)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is LDJLNTDPXWHCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NO/c1-16-9-3-2-6(12)4-7(9)8(5-10(16)17)11(13,14)15/h2-5H,1H3.
What are the key properties of 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one?
6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 245.18 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 146567148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).