4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one

C10H9F3O3 — CID 20709916

IUPAC4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one
SMILESO=C(c1ccccc1)C(O)C(O)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)9(16)8(15)7(14)6-4-2-1-3-5-6/h1-5,8-9,15-16H
InChIKeyDOGQAIAIZJFNOV-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.15
Rot. Bonds3

About 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one

4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one (PubChem CID 20709916) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one
PubChem CID20709916
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one
SMILESO=C(c1ccccc1)C(O)C(O)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)9(16)8(15)7(14)6-4-2-1-3-5-6/h1-5,8-9,15-16H
InChIKeyDOGQAIAIZJFNOV-UHFFFAOYSA-N
XLogP1.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-4,4,4-trifluoro-3-hydroxy-2-methyl-1-phenylbutan-1-one
CID 101153138
2,3,4,4-tetrahydroxy-1-phenylbutan-1-one
CID 66852156
3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one
CID 101051486
(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one
CID 131847113
(3R,4R,5R)-4-benzoyl-2,3,4,5-tetrahydroxy-1-phenyloctane-1,6,7-trione
CID 141228863
3-benzoyl-2,3,4,5-tetrahydroxy-2-methyl-6-oxo-6-phenylhexanal
CID 175024375
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688
2,2-difluoro-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 10513528
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
[(2S)-1,1,1-trifluoro-3-oxo-3-phenylpropan-2-yl] benzoate
CID 101242686
(2R,3S)-2-hydroxy-3-methyl-1-phenylpent-4-en-1-one
CID 11735641
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one?
The IUPAC name of 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one (CID 20709916) is 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one?
The canonical SMILES for 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one is O=C(c1ccccc1)C(O)C(O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one?
The InChIKey is DOGQAIAIZJFNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)9(16)8(15)7(14)6-4-2-1-3-5-6/h1-5,8-9,15-16H.
What are the key properties of 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one?
4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one has a molecular weight of 234.17 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,3-dihydroxy-1-phenylbutan-1-one is sourced from PubChem (CID 20709916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).