1-(3-chloro-6-fluoro-2-methylphenyl)ethanone

C9H8ClFO — CID 84770201

IUPAC1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
SMILESCC(=O)c1c(F)ccc(Cl)c1C
InChIInChI=1S/C9H8ClFO/c1-5-7(10)3-4-8(11)9(5)6(2)12/h3-4H,1-2H3
InChIKeyGHKPPACXXBENNK-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.99
Rot. Bonds1

About 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone

1-(3-chloro-6-fluoro-2-methylphenyl)ethanone (PubChem CID 84770201) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
PubChem CID84770201
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
SMILESCC(=O)c1c(F)ccc(Cl)c1C
InChIInChI=1S/C9H8ClFO/c1-5-7(10)3-4-8(11)9(5)6(2)12/h3-4H,1-2H3
InChIKeyGHKPPACXXBENNK-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
1-(6-fluoro-3-methoxy-2-methylphenyl)ethanone
CID 84658392
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
1-(3-amino-2-chloro-6-fluorophenyl)ethanone
CID 83410231
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
1-[3,6-dichloro-2-(trifluoromethyl)phenyl]ethanone
CID 131524733
1-(3-chloro-2-fluoro-6-iodophenyl)ethanone
CID 164892714
1-(6-chloro-2,7-dimethyl-1H-indol-3-yl)ethanone
CID 82494396
1-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
(6-chloro-2,3-difluorophenyl)-(3-chloro-2-methylphenyl)methanone
CID 114275342

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone (CID 84770201) is 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone is CC(=O)c1c(F)ccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone?
The InChIKey is GHKPPACXXBENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-5-7(10)3-4-8(11)9(5)6(2)12/h3-4H,1-2H3.
What are the key properties of 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone?
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone has a molecular weight of 186.61 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 84770201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).