3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one

C15H11F3O3 — CID 162537864

IUPAC3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)C(O)(O)C(F)(F)F
InChIInChI=1S/C15H11F3O3/c16-15(17,18)14(20,21)13(19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20-21H
InChIKeyWVSDZXZKXIFAPW-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.78
Rot. Bonds3

About 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one

3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one (PubChem CID 162537864) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one
PubChem CID162537864
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one
SMILESO=C(c1ccc(-c2ccccc2)cc1)C(O)(O)C(F)(F)F
InChIInChI=1S/C15H11F3O3/c16-15(17,18)14(20,21)13(19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20-21H
InChIKeyWVSDZXZKXIFAPW-UHFFFAOYSA-N
XLogP2.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.78
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

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one
CID 151245335
sodium;hydride;4-phenylbenzoic acid
CID 173392993
potassium;hydride;4-phenylbenzoic acid
CID 173045180
2,2,2-trifluoro-1-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]ethanone
CID 90161708
phenyl-(4-phenylphenyl)methanone
CID 155775877
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
(4-phenylbenzoyl)oxidanium
CID 148658843
ethane;4-phenylbenzoic acid;propane
CID 156791718
2,2-difluoro-1-phenylbutane-1,3-dione
CID 14793037
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanone
CID 5278388
2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 79057003
ethane;1-(4-phenylphenyl)ethanone
CID 123256888

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one (CID 162537864) is 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one is O=C(c1ccc(-c2ccccc2)cc1)C(O)(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one?
The InChIKey is WVSDZXZKXIFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)14(20,21)13(19)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20-21H.
What are the key properties of 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one?
3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one has a molecular weight of 296.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dihydroxy-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 162537864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).