2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone

C11H10ClF2NO — CID 131264590

IUPAC2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CCl)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C11H10ClF2NO/c12-6-11(16)15-3-1-2-8-9(14)4-7(13)5-10(8)15/h4-5H,1-3,6H2
InChIKeyQWFUDDRTYIWPPB-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.48
Rot. Bonds1

About 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 131264590) has the molecular formula C11H10ClF2NO and a molecular weight of 245.66 g/mol. Its IUPAC name is 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID131264590
Molecular FormulaC11H10ClF2NO
Molecular Weight245.66 g/mol
Exact Mass245.04
IUPAC Name2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CCl)N1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C11H10ClF2NO/c12-6-11(16)15-3-1-2-8-9(14)4-7(13)5-10(8)15/h4-5H,1-3,6H2
InChIKeyQWFUDDRTYIWPPB-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55671472
4,6-difluoro-2,3-dihydroindole-1-carboxylic acid
CID 175962184
1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 55671799
N-[3-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 47029823
(4-chloro-3-nitrophenyl)-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55671768
1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-2-hydroxy-3-(1-methylpyrazol-4-yl)propan-1-one
CID 167900335
1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 112834091
1-(2-chloroacetyl)-3,4-dihydro-2H-quinoline-5-carbonitrile
CID 166409152
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 55671504
2-[2-chloro-4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 55671413
(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[2-(dimethylamino)-3-pyridinyl]methanone
CID 52723946
2-chloro-1-(5,7-difluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166404291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 131264590) is 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(CCl)N1CCCc2c(F)cc(F)cc21.
What is the InChIKey of 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is QWFUDDRTYIWPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO/c12-6-11(16)15-3-1-2-8-9(14)4-7(13)5-10(8)15/h4-5H,1-3,6H2.
What are the key properties of 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 245.66 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 131264590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).