1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone

C10H6F6O — CID 169111892

IUPAC1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1F
InChIInChI=1S/C10H6F6O/c1-5(17)7-3-2-6(4-8(7)11)9(12,13)10(14,15)16/h2-4H,1H3
InChIKeyGAHXLNTVJRENJO-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.68
Rot. Bonds2

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

1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone (PubChem CID 169111892) has the molecular formula C10H6F6O and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone
PubChem CID169111892
Molecular FormulaC10H6F6O
Molecular Weight256.14 g/mol
Exact Mass256.03
IUPAC Name1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1F
InChIInChI=1S/C10H6F6O/c1-5(17)7-3-2-6(4-8(7)11)9(12,13)10(14,15)16/h2-4H,1H3
InChIKeyGAHXLNTVJRENJO-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone (CID 169111892) is 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone is CC(=O)c1ccc(C(F)(F)C(F)(F)F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone?
The InChIKey is GAHXLNTVJRENJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O/c1-5(17)7-3-2-6(4-8(7)11)9(12,13)10(14,15)16/h2-4H,1H3.
What are the key properties of 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone?
1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone has a molecular weight of 256.14 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone is sourced from PubChem (CID 169111892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).