1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol

C15H13BrF2O — CID 114931469

IUPAC1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Br)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H13BrF2O/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7,12,19H,8-9H2
InChIKeyJYZHPWREZNRLEA-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol

1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol (PubChem CID 114931469) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
PubChem CID114931469
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Br)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H13BrF2O/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7,12,19H,8-9H2
InChIKeyJYZHPWREZNRLEA-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-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 115803489
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930825
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol
CID 55096280
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol
CID 115830159
1-bromo-2-[1-bromo-2-(4-bromophenyl)ethyl]-3-fluorobenzene
CID 114560967
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol (CID 114931469) is 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol is OC(Cc1ccc(Br)cc1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
The InChIKey is JYZHPWREZNRLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7,12,19H,8-9H2.
What are the key properties of 1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol?
1-(4-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-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol is sourced from PubChem (CID 114931469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).