2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone

C19H19F3O — CID 14993513

IUPAC2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone
SMILESCCCCCc1ccc(C(F)(F)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19F3O/c1-2-3-4-5-14-6-10-16(11-7-14)19(21,22)18(23)15-8-12-17(20)13-9-15/h6-13H,2-5H2,1H3
InChIKeyIFKFTIZVGSLKIJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP5.53
Rot. Bonds7

About 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone

2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone (PubChem CID 14993513) has the molecular formula C19H19F3O and a molecular weight of 320.35 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone
PubChem CID14993513
Molecular FormulaC19H19F3O
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone
SMILESCCCCCc1ccc(C(F)(F)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19F3O/c1-2-3-4-5-14-6-10-16(11-7-14)19(21,22)18(23)15-8-12-17(20)13-9-15/h6-13H,2-5H2,1H3
InChIKeyIFKFTIZVGSLKIJ-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.35
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2,2-difluoro-1-(4-pentylphenyl)ethanone
CID 146007782
2,2-difluoro-1-(4-hexylphenyl)ethanone
CID 146007053
1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
4-pentylbenzoyl bromide
CID 87349955
[4-(4-fluorobenzoyl)oxyphenyl] 4-pentylbenzoate
CID 71322059
1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 22182131
2-methyl-1-(4-octadecylphenyl)propan-1-one
CID 14770317
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
2-ethyl-1-(4-hexylphenyl)butan-1-one
CID 146007076
(4-fluorophenyl) (4-hexylphenyl) carbonate
CID 70425086
(2R)-2-chloro-1-(4-hexylphenyl)propan-1-one
CID 2434866
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone (CID 14993513) is 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone is CCCCCc1ccc(C(F)(F)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone?
The InChIKey is IFKFTIZVGSLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O/c1-2-3-4-5-14-6-10-16(11-7-14)19(21,22)18(23)15-8-12-17(20)13-9-15/h6-13H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone?
2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone has a molecular weight of 320.35 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone is sourced from PubChem (CID 14993513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).