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

C10H6F6O — CID 171032554

IUPAC1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6F6O/c1-4(17)5-3-8(11)6(9(12)13)2-7(5)10(14,15)16/h2-3,9H,1H3
InChIKeyPGMWBPHFNOMYRO-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.98
Rot. Bonds2

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

1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone (PubChem CID 171032554) has the molecular formula C10H6F6O and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
PubChem CID171032554
Molecular FormulaC10H6F6O
Molecular Weight256.14 g/mol
Exact Mass256.03
IUPAC Name1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6F6O/c1-4(17)5-3-8(11)6(9(12)13)2-7(5)10(14,15)16/h2-3,9H,1H3
InChIKeyPGMWBPHFNOMYRO-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-acetyl-2-(difluoromethyl)-4-(trifluoromethyl)benzonitrile
CID 171030905
1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 171016157
1-[4-(difluoromethoxy)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 171031809
1-[4-bromo-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131353929
1-[3-(difluoromethyl)-2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
CID 171032603
1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993
1-[2-(difluoromethyl)-4-ethoxy-5-(trifluoromethyl)phenyl]ethanone
CID 171032408
1-[2-(difluoromethyl)-4-hydroxy-6-(trifluoromethyl)phenyl]ethanone
CID 171032599
1-[2-(difluoromethyl)-5-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032657
1-[3-chloro-2-(difluoromethyl)-4-(trifluoromethyl)phenyl]ethanone
CID 171009956
1-[5-amino-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 171025688
1-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanone
CID 84710170

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone (CID 171032554) is 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone is CC(=O)c1cc(F)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is PGMWBPHFNOMYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O/c1-4(17)5-3-8(11)6(9(12)13)2-7(5)10(14,15)16/h2-3,9H,1H3.
What are the key properties of 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone?
1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 256.14 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171032554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).