6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one

C12H9Cl2F2NO — CID 162539578

IUPAC6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(CC=C(F)F)c2cc(Cl)cc(Cl)c2N1
InChIInChI=1S/C12H9Cl2F2NO/c13-7-4-8-6(1-2-10(15)16)3-11(18)17-12(8)9(14)5-7/h2,4-6H,1,3H2,(H,17,18)
InChIKeyNLPKXYGIDLKZKL-UHFFFAOYSA-N
MW292.11 g/mol
LogP4.59
Rot. Bonds2

About 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one

6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 162539578) has the molecular formula C12H9Cl2F2NO and a molecular weight of 292.11 g/mol. Its IUPAC name is 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID162539578
Molecular FormulaC12H9Cl2F2NO
Molecular Weight292.11 g/mol
Exact Mass291.00
IUPAC Name6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(CC=C(F)F)c2cc(Cl)cc(Cl)c2N1
InChIInChI=1S/C12H9Cl2F2NO/c13-7-4-8-6(1-2-10(15)16)3-11(18)17-12(8)9(14)5-7/h2,4-6H,1,3H2,(H,17,18)
InChIKeyNLPKXYGIDLKZKL-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one (CID 162539578) is 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CC(CC=C(F)F)c2cc(Cl)cc(Cl)c2N1.
What is the InChIKey of 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NLPKXYGIDLKZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F2NO/c13-7-4-8-6(1-2-10(15)16)3-11(18)17-12(8)9(14)5-7/h2,4-6H,1,3H2,(H,17,18).
What are the key properties of 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one?
6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 292.11 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-(3,3-difluoroprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 162539578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).