1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone

C9H7ClF2O2 — CID 171007175

IUPAC1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(O)cc(C(F)F)c1Cl
InChIInChI=1S/C9H7ClF2O2/c1-4(13)6-2-5(14)3-7(8(6)10)9(11)12/h2-3,9,14H,1H3
InChIKeyJMURJSIDRNVANO-UHFFFAOYSA-N
MW220.60 g/mol
LogP3.19
Rot. Bonds2

About 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone

1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone (PubChem CID 171007175) has the molecular formula C9H7ClF2O2 and a molecular weight of 220.60 g/mol. Its IUPAC name is 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
PubChem CID171007175
Molecular FormulaC9H7ClF2O2
Molecular Weight220.60 g/mol
Exact Mass220.01
IUPAC Name1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(O)cc(C(F)F)c1Cl
InChIInChI=1S/C9H7ClF2O2/c1-4(13)6-2-5(14)3-7(8(6)10)9(11)12/h2-3,9,14H,1H3
InChIKeyJMURJSIDRNVANO-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-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone
CID 171002234
1-(3-bromo-2-chloro-5-hydroxyphenyl)ethanone
CID 131292987
1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007258
1-[2-(difluoromethyl)-4-hydroxy-6-methylphenyl]ethanone
CID 131329925
1-[5-bromo-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573374
1-[2-bromo-6-(difluoromethyl)-4-hydroxyphenyl]ethanone
CID 131572162
1-[3-bromo-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 131572163
1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171032603
1-[5-chloro-3-(difluoromethyl)-2-iodophenyl]ethanone
CID 171009758
1-[2-(difluoromethyl)-4-hydroxy-6-(trifluoromethyl)phenyl]ethanone
CID 171032599
1-[3-bromo-4-chloro-5-(difluoromethyl)phenyl]ethanone
CID 171001234
1-(3-chloro-5-hydroxy-2-methylphenyl)ethanone
CID 89337330

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone?
The IUPAC name of 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone (CID 171007175) is 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone is CC(=O)c1cc(O)cc(C(F)F)c1Cl.
What is the InChIKey of 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone?
The InChIKey is JMURJSIDRNVANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O2/c1-4(13)6-2-5(14)3-7(8(6)10)9(11)12/h2-3,9,14H,1H3.
What are the key properties of 1-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone?
1-[2-chloro-3-(difluoromethyl)-5-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-[2-chloro-3-(difluoromethyl)-5-hydroxyphenyl]ethanone is sourced from PubChem (CID 171007175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).