3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one

C15H11BrF2O2 — CID 102133002

IUPAC3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,14,20H
InChIKeyWDNNIYAOMSBJHG-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.00
Rot. Bonds4

About 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one

3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one (PubChem CID 102133002) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one
PubChem CID102133002
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(F)(F)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,14,20H
InChIKeyWDNNIYAOMSBJHG-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Bis(3-fluorophenyl)-2-hydroxyethanone
CID 10868634
1,2-Bis(2-fluorophenyl)-2-hydroxyethanone
CID 19971657
Cyclohexanone, 2-[(4-bromophenyl)hydroxymethyl]-
CID 603771
1,2-Bis(4-bromophenyl)-2-hydroxyethanone
CID 3938243
1,2-Bis(4-fluorophenyl)-2-hydroxyethanone
CID 103786
2-[(4-Bromophenyl)-hydroxy-methyl]-3-methyl-naphthalene-1,4-dione
CID 54671543
1-Propanone, 3-(4-bromophenyl)-2,2-dimethyl-3-hydroxy-1-phenyl-
CID 3059018
1-(4-bromo-3-(hydroxymethyl)phenyl)Ethanone
CID 118573514
1-Propanone, 2,2-difluoro-3-hydroxy-1,3-diphenyl-
CID 9881672
(R)-1,2-bis(4-fluorophenyl)-2-hydroxyethan-1-one
CID 10879456
1-Phenyl-3-hydroxy-3-[4-(trifluoromethyl)phenyl]-1-propanone
CID 86090501
3-[(2R)-2-(4-bromophenyl)-3,3,3-trifluoro-2-hydroxypropyl]cyclohex-2-en-1-one
CID 122573534

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one?
The IUPAC name of 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one (CID 102133002) is 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one is O=C(c1ccccc1)C(F)(F)C(O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one?
The InChIKey is WDNNIYAOMSBJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-12-8-6-11(7-9-12)14(20)15(17,18)13(19)10-4-2-1-3-5-10/h1-9,14,20H.
What are the key properties of 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one?
3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one has a molecular weight of 341.15 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,2-difluoro-3-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 102133002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).