6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one

C12H11F2NO — CID 22918243

IUPAC6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one
SMILESC=CCN1CCC(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C12H11F2NO/c1-2-4-15-5-3-12(16)8-6-9(13)10(14)7-11(8)15/h2,6-7H,1,3-5H2
InChIKeySZECIMDVRTUPQB-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.54
Rot. Bonds2

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

6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one (PubChem CID 22918243) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one
PubChem CID22918243
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one
SMILESC=CCN1CCC(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C12H11F2NO/c1-2-4-15-5-3-12(16)8-6-9(13)10(14)7-11(8)15/h2,6-7H,1,3-5H2
InChIKeySZECIMDVRTUPQB-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one (CID 22918243) is 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one is C=CCN1CCC(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one?
The InChIKey is SZECIMDVRTUPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-2-4-15-5-3-12(16)8-6-9(13)10(14)7-11(8)15/h2,6-7H,1,3-5H2.
What are the key properties of 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one?
6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one has a molecular weight of 223.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-prop-2-enyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 22918243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).