2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C12H13ClFNO — CID 3155802

IUPAC2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)CCl
InChIInChI=1S/C12H13ClFNO/c1-8-2-3-9-6-10(14)4-5-11(9)15(8)12(16)7-13/h4-6,8H,2-3,7H2,1H3
InChIKeyIBNJYMSLQFJRQV-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.73
Rot. Bonds1

About 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 3155802) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID3155802
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)CCl
InChIInChI=1S/C12H13ClFNO/c1-8-2-3-9-6-10(14)4-5-11(9)15(8)12(16)7-13/h4-6,8H,2-3,7H2,1H3
InChIKeyIBNJYMSLQFJRQV-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 3155802) is 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CC1CCc2cc(F)ccc2N1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is IBNJYMSLQFJRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-8-2-3-9-6-10(14)4-5-11(9)15(8)12(16)7-13/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 241.69 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 3155802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).