2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one

C10H7F5O3 — CID 102198852

IUPAC2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one
SMILESO=C(c1ccc(F)cc1)C(F)C(O)(O)C(F)(F)F
InChIInChI=1S/C10H7F5O3/c11-6-3-1-5(2-4-6)7(16)8(12)9(17,18)10(13,14)15/h1-4,8,17-18H
InChIKeyMZMGNOAJENOUCU-UHFFFAOYSA-N
MW270.15 g/mol
LogP1.59
Rot. Bonds3

About 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one

2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one (PubChem CID 102198852) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one.

Molecular Properties

Compound Name2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one
PubChem CID102198852
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Name2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one
SMILESO=C(c1ccc(F)cc1)C(F)C(O)(O)C(F)(F)F
InChIInChI=1S/C10H7F5O3/c11-6-3-1-5(2-4-6)7(16)8(12)9(17,18)10(13,14)15/h1-4,8,17-18H
InChIKeyMZMGNOAJENOUCU-UHFFFAOYSA-N
XLogP1.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoroacetophenone
CID 9905
4,4,4-Trifluoro-1-phenyl-1,3-butanedione
CID 67589
3-(4-Fluorobenzoyl)propionic acid
CID 101359
8-Oxo-8-phenyloctanoic acid
CID 298878
2,2,2,4'-Tetrafluoroacetophenone
CID 69564
Ethanone, 2,2,2-trifluoro-1-(3-fluorophenyl)-
CID 69723
5-Benzoylpentanoic Acid
CID 223595
2,2-Difluoroacetophenone
CID 273286
2,2,3,3,3-Pentafluoro-1-phenylpropan-1-one
CID 238418
2,2,3,3,4,4,4-Heptafluoro-1-phenylbutan-1-one
CID 238424
7-Oxo-7-phenylheptanoic acid
CID 344830
4,4,4-Trifluoro-1-(4-fluorophenyl)butane-1,3-dione
CID 2771476

Frequently Asked Questions

What is the IUPAC name of 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one?
The IUPAC name of 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one (CID 102198852) is 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one.
What is the SMILES notation for 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one?
The canonical SMILES for 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one is O=C(c1ccc(F)cc1)C(F)C(O)(O)C(F)(F)F.
What is the InChIKey of 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one?
The InChIKey is MZMGNOAJENOUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c11-6-3-1-5(2-4-6)7(16)8(12)9(17,18)10(13,14)15/h1-4,8,17-18H.
What are the key properties of 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one?
2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one has a molecular weight of 270.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one is sourced from PubChem (CID 102198852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).