1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone

C10H8F4O — CID 84724573

IUPAC1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)C(F)F)cc1
InChIInChI=1S/C10H8F4O/c1-6(15)7-2-4-8(5-3-7)10(13,14)9(11)12/h2-5,9H,1H3
InChIKeyYECPBOONJSJQJZ-UHFFFAOYSA-N
MW220.17 g/mol
LogP3.25
Rot. Bonds3

About 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone

1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone (PubChem CID 84724573) has the molecular formula C10H8F4O and a molecular weight of 220.17 g/mol. Its IUPAC name is 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone
PubChem CID84724573
Molecular FormulaC10H8F4O
Molecular Weight220.17 g/mol
Exact Mass220.05
IUPAC Name1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)C(F)F)cc1
InChIInChI=1S/C10H8F4O/c1-6(15)7-2-4-8(5-3-7)10(13,14)9(11)12/h2-5,9H,1H3
InChIKeyYECPBOONJSJQJZ-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

dichloromethane;1-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]phenyl]ethanone
CID 90933922
1-[4-(1,1-dihydroxyethyl)phenyl]ethanone
CID 143592266
1-(4-acetylphenyl)ethanone;methane
CID 159515104
2,2,2-trideuterio-1-[4-(trifluoromethyl)phenyl]ethanone
CID 102059263
(4-acetylphenyl) 4-(trifluoromethyl)benzoate
CID 71484812
1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
CID 21200809
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531
4-acetyl(11C)benzoic acid
CID 11205952
potassium;1-(4-chlorophenyl)ethanone;2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;fluoroform;hydroxide
CID 159787868
1-(4-arsanylphenyl)ethanone
CID 173138956
1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
CID 22760371
1-[4-[4-[1-[4-(4-acetylphenoxy)phenyl]-1,2,2,3,3,3-hexafluoropropyl]phenoxy]phenyl]ethanone
CID 56999322

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone (CID 84724573) is 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone is CC(=O)c1ccc(C(F)(F)C(F)F)cc1.
What is the InChIKey of 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone?
The InChIKey is YECPBOONJSJQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-6(15)7-2-4-8(5-3-7)10(13,14)9(11)12/h2-5,9H,1H3.
What are the key properties of 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone?
1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone has a molecular weight of 220.17 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone is sourced from PubChem (CID 84724573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).