1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone

C9H7ClF2O2 — CID 171006983

IUPAC1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone
SMILESCC(=O)c1c(O)ccc(Cl)c1C(F)F
InChIInChI=1S/C9H7ClF2O2/c1-4(13)7-6(14)3-2-5(10)8(7)9(11)12/h2-3,9,14H,1H3
InChIKeyZRNWQBHNGSEMFS-UHFFFAOYSA-N
MW220.60 g/mol
LogP3.19
Rot. Bonds2

About 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone

1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone (PubChem CID 171006983) has the molecular formula C9H7ClF2O2 and a molecular weight of 220.60 g/mol. Its IUPAC name is 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone
PubChem CID171006983
Molecular FormulaC9H7ClF2O2
Molecular Weight220.60 g/mol
Exact Mass220.01
IUPAC Name1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone
SMILESCC(=O)c1c(O)ccc(Cl)c1C(F)F
InChIInChI=1S/C9H7ClF2O2/c1-4(13)7-6(14)3-2-5(10)8(7)9(11)12/h2-3,9,14H,1H3
InChIKeyZRNWQBHNGSEMFS-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 171009683
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
3-acetyl-4-chloro-2-(difluoromethyl)benzonitrile
CID 171001262
1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
CID 171002747
2-(6-chloro-2,3-dihydroxyphenyl)propanoic acid
CID 117308570
6-chloro-2-(difluoromethyl)-3-methylbenzoic acid
CID 155821945
3-acetyl-2-chloro-4-hydroxybenzonitrile
CID 171008953
1-[2-chloro-4-(difluoromethyl)-6-methylphenyl]ethanone
CID 171005887
4-chloro-3-(difluoromethyl)-2-fluorobenzoic acid
CID 163198095
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
methyl 2-(2-acetamido-6-chloro-3-hydroxyphenyl)-2-hydroxyacetate
CID 117436897
1-[3-chloro-2-(difluoromethyl)-4-fluorophenyl]ethanone
CID 171005026

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone (CID 171006983) is 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone is CC(=O)c1c(O)ccc(Cl)c1C(F)F.
What is the InChIKey of 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone?
The InChIKey is ZRNWQBHNGSEMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O2/c1-4(13)7-6(14)3-2-5(10)8(7)9(11)12/h2-3,9,14H,1H3.
What are the key properties of 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone?
1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone has a molecular weight of 220.60 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone is sourced from PubChem (CID 171006983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).