1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol

C13H11BrF2O2 — CID 106265532

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1c(F)ccc(Br)c1F)c1ccoc1
InChIInChI=1S/C13H11BrF2O2/c1-13(17,8-4-5-18-7-8)6-9-11(15)3-2-10(14)12(9)16/h2-5,7,17H,6H2,1H3
InChIKeySAZMWRLUXKIBHK-UHFFFAOYSA-N
MW317.13 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol

1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol (PubChem CID 106265532) has the molecular formula C13H11BrF2O2 and a molecular weight of 317.13 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol
PubChem CID106265532
Molecular FormulaC13H11BrF2O2
Molecular Weight317.13 g/mol
Exact Mass315.99
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1c(F)ccc(Br)c1F)c1ccoc1
InChIInChI=1S/C13H11BrF2O2/c1-13(17,8-4-5-18-7-8)6-9-11(15)3-2-10(14)12(9)16/h2-5,7,17H,6H2,1H3
InChIKeySAZMWRLUXKIBHK-UHFFFAOYSA-N
XLogP3.77
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
2-(furan-3-yl)butan-2-ol
CID 63948542
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 114166996
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
1-(3-bromo-2,6-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 106273662
1-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 106265631
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
3-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 106271326
2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol
CID 103035230

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol (CID 106265532) is 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol is CC(O)(Cc1c(F)ccc(Br)c1F)c1ccoc1.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol?
The InChIKey is SAZMWRLUXKIBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2O2/c1-13(17,8-4-5-18-7-8)6-9-11(15)3-2-10(14)12(9)16/h2-5,7,17H,6H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol has a molecular weight of 317.13 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol is sourced from PubChem (CID 106265532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).