3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol

C15H13BrF2O — CID 79438236

IUPAC3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cc1F)c1ccc(F)cc1
InChIInChI=1S/C15H13BrF2O/c16-13-4-1-11(15(18)8-13)7-12(9-19)10-2-5-14(17)6-3-10/h1-6,8,12,19H,7,9H2
InChIKeyPGJQMQNBPTXHNF-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.05
Rot. Bonds4

About 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol

3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 79438236) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
PubChem CID79438236
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(Br)cc1F)c1ccc(F)cc1
InChIInChI=1S/C15H13BrF2O/c16-13-4-1-11(15(18)8-13)7-12(9-19)10-2-5-14(17)6-3-10/h1-6,8,12,19H,7,9H2
InChIKeyPGJQMQNBPTXHNF-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79435639
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206
3-(4-bromophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438156
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
CID 79436533
3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 79418016
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
3-(2-bromo-5-fluorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 79437902
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79436831
2-(3-bromophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 114349841
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol (CID 79438236) is 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol is OCC(Cc1ccc(Br)cc1F)c1ccc(F)cc1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is PGJQMQNBPTXHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c16-13-4-1-11(15(18)8-13)7-12(9-19)10-2-5-14(17)6-3-10/h1-6,8,12,19H,7,9H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol?
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 327.17 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 79438236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).