1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone

C10H6F6O2 — CID 171031809

IUPAC1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(OC(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6F6O2/c1-4(17)5-2-7(11)8(18-9(12)13)3-6(5)10(14,15)16/h2-3,9H,1H3
InChIKeyMKXVLRPTFJHOOC-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.65
Rot. Bonds3

About 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone

1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 171031809) has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
PubChem CID171031809
Molecular FormulaC10H6F6O2
Molecular Weight272.14 g/mol
Exact Mass272.03
IUPAC Name1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(OC(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6F6O2/c1-4(17)5-2-7(11)8(18-9(12)13)3-6(5)10(14,15)16/h2-3,9H,1H3
InChIKeyMKXVLRPTFJHOOC-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171032554
1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 171016157
1-[3-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031801
1-[4-bromo-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131353929
1-[4-(difluoromethoxy)-2-nitro-5-(trifluoromethyl)phenyl]ethanone
CID 171032396
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
4-(difluoromethoxy)-5-fluoro-2-methylbenzoic acid
CID 131290844
1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032223
1-[4-(difluoromethoxy)-5-fluoro-2-pyridinyl]ethanone
CID 167107554
1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
CID 171031562
1-[2-amino-5-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034016
1-[2-(difluoromethoxy)-5-fluoro-4-nitrophenyl]ethanone
CID 171031882

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone (CID 171031809) is 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(F)c(OC(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MKXVLRPTFJHOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2/c1-4(17)5-2-7(11)8(18-9(12)13)3-6(5)10(14,15)16/h2-3,9H,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 272.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171031809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).