1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one

C11H11F2NO — CID 10856761

IUPAC1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one
SMILESCCN1CCC(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C11H11F2NO/c1-2-14-4-3-11(15)7-5-8(12)9(13)6-10(7)14/h5-6H,2-4H2,1H3
InChIKeyFCHCIASDPFFVDF-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.38
Rot. Bonds1

About 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one

1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one (PubChem CID 10856761) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one
PubChem CID10856761
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one
SMILESCCN1CCC(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C11H11F2NO/c1-2-14-4-3-11(15)7-5-8(12)9(13)6-10(7)14/h5-6H,2-4H2,1H3
InChIKeyFCHCIASDPFFVDF-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one (CID 10856761) is 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one is CCN1CCC(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one?
The InChIKey is FCHCIASDPFFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-2-14-4-3-11(15)7-5-8(12)9(13)6-10(7)14/h5-6H,2-4H2,1H3.
What are the key properties of 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one?
1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one has a molecular weight of 211.21 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-difluoro-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 10856761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).