1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone

C9H8ClFO2 — CID 84671092

IUPAC1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)cc(C(C)=O)c1F
InChIInChI=1S/C9H8ClFO2/c1-5(12)7-3-6(10)4-8(13-2)9(7)11/h3-4H,1-2H3
InChIKeyTVRIKUXLTKRAAN-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.69
Rot. Bonds2

About 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone

1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 84671092) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone
PubChem CID84671092
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cc(Cl)cc(C(C)=O)c1F
InChIInChI=1S/C9H8ClFO2/c1-5(12)7-3-6(10)4-8(13-2)9(7)11/h3-4H,1-2H3
InChIKeyTVRIKUXLTKRAAN-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
1-(5-amino-2-fluoro-3-methoxyphenyl)ethanone
CID 171018480
1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 131526444
2-acetyl-4-chloro-6-methoxybenzaldehyde
CID 171002394
methyl 2-acetyl-5-chloro-3-methoxybenzoate
CID 169313792
1-(2-amino-5-chloro-3-methoxyphenyl)-2,2,2-trifluoroethanone
CID 15923091
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234
1-(4-chloro-2-methoxy-6-nitrophenyl)ethanone
CID 171009212
2-chloro-1-[5-chloro-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171028469
1-(4-chloro-2,3,5-trifluorophenyl)ethanone
CID 117112116

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone (CID 84671092) is 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone is COc1cc(Cl)cc(C(C)=O)c1F.
What is the InChIKey of 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is TVRIKUXLTKRAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-5(12)7-3-6(10)4-8(13-2)9(7)11/h3-4H,1-2H3.
What are the key properties of 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone?
1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone has a molecular weight of 202.61 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 84671092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).