1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol

C15H13BrF2O — CID 114931497

IUPAC1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccccc1Br)Cc1c(F)cccc1F
InChIInChI=1S/C15H13BrF2O/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7,11,19H,8-9H2
InChIKeyVZQOUYODBCLHPF-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol

1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol (PubChem CID 114931497) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
PubChem CID114931497
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccccc1Br)Cc1c(F)cccc1F
InChIInChI=1S/C15H13BrF2O/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7,11,19H,8-9H2
InChIKeyVZQOUYODBCLHPF-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
CID 62692341
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
CID 114931671
3-(2-bromophenyl)-1,1-difluoropropan-2-ol
CID 112699172
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 63410719

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol (CID 114931497) is 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol is OC(Cc1ccccc1Br)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The InChIKey is VZQOUYODBCLHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7,11,19H,8-9H2.
What are the key properties of 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol has a molecular weight of 327.17 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol is sourced from PubChem (CID 114931497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).