1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone

C10H7ClF4O2 — CID 171006158

IUPAC1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(OC(F)F)c(Cl)cc1C(F)F
InChIInChI=1S/C10H7ClF4O2/c1-4(16)5-3-8(17-10(14)15)7(11)2-6(5)9(12)13/h2-3,9-10H,1H3
InChIKeyZHLZLIDGZWWECU-UHFFFAOYSA-N
MW270.61 g/mol
LogP4.08
Rot. Bonds4

About 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone

1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone (PubChem CID 171006158) has the molecular formula C10H7ClF4O2 and a molecular weight of 270.61 g/mol. Its IUPAC name is 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
PubChem CID171006158
Molecular FormulaC10H7ClF4O2
Molecular Weight270.61 g/mol
Exact Mass270.01
IUPAC Name1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(OC(F)F)c(Cl)cc1C(F)F
InChIInChI=1S/C10H7ClF4O2/c1-4(16)5-3-8(17-10(14)15)7(11)2-6(5)9(12)13/h2-3,9-10H,1H3
InChIKeyZHLZLIDGZWWECU-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.61
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-amino-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131333493
1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007258
1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131587225
1-[4-(difluoromethoxy)-2-(difluoromethyl)-5-ethylphenyl]ethanone
CID 171031547
2,4-dichloro-5-(difluoromethoxy)benzoic acid
CID 119020292
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006356
1-[2-chloro-4-(difluoromethoxy)-5-nitrophenyl]ethanone
CID 171006601
1-[5-amino-2-(difluoromethyl)-4-methylphenyl]ethanone
CID 170996780
ethyl 2,5-dichloro-4-(difluoromethoxy)benzoate
CID 121228202
1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 131290897
1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
CID 171031562

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone (CID 171006158) is 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone is CC(=O)c1cc(OC(F)F)c(Cl)cc1C(F)F.
What is the InChIKey of 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone?
The InChIKey is ZHLZLIDGZWWECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O2/c1-4(16)5-3-8(17-10(14)15)7(11)2-6(5)9(12)13/h2-3,9-10H,1H3.
What are the key properties of 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone?
1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone has a molecular weight of 270.61 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-(difluoromethoxy)-2-(difluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171006158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).