1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone

C17H11F7O — CID 21200809

IUPAC1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H11F7O/c1-10(25)11-2-4-12(5-3-11)15(16(19,20)21,17(22,23)24)13-6-8-14(18)9-7-13/h2-9H,1H3
InChIKeyNFYLBPKTLMYBPQ-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.44
Rot. Bonds3

About 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone

1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone (PubChem CID 21200809) has the molecular formula C17H11F7O and a molecular weight of 364.26 g/mol. Its IUPAC name is 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
PubChem CID21200809
Molecular FormulaC17H11F7O
Molecular Weight364.26 g/mol
Exact Mass364.07
IUPAC Name1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H11F7O/c1-10(25)11-2-4-12(5-3-11)15(16(19,20)21,17(22,23)24)13-6-8-14(18)9-7-13/h2-9H,1H3
InChIKeyNFYLBPKTLMYBPQ-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)ethanone;methanol
CID 160697688
4-[2-(4-carboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzoic acid
CID 160850073
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanone
CID 84724573
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
CID 157412429
1-[4-(1,1-dihydroxyethyl)phenyl]ethanone
CID 143592266
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
1-[4-[4-[1-[4-(4-acetylphenoxy)phenyl]-1,2,2,3,3,3-hexafluoropropyl]phenoxy]phenyl]ethanone
CID 56999322
propyl 4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycarbonylphenyl)propan-2-yl]benzoate
CID 139710752

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone (CID 21200809) is 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone is CC(=O)c1ccc(C(c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone?
The InChIKey is NFYLBPKTLMYBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F7O/c1-10(25)11-2-4-12(5-3-11)15(16(19,20)21,17(22,23)24)13-6-8-14(18)9-7-13/h2-9H,1H3.
What are the key properties of 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone?
1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone has a molecular weight of 364.26 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone is sourced from PubChem (CID 21200809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).