1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol

C9H7Br2F3O — CID 107140564

IUPAC1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol
SMILESCC(O)(c1ccc(F)c(Br)c1)C(F)(F)Br
InChIInChI=1S/C9H7Br2F3O/c1-8(15,9(11,13)14)5-2-3-7(12)6(10)4-5/h2-4,15H,1H3
InChIKeyVOUXAAGPTBWLOU-UHFFFAOYSA-N
MW347.96 g/mol
LogP3.78
Rot. Bonds2

About 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol

1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol (PubChem CID 107140564) has the molecular formula C9H7Br2F3O and a molecular weight of 347.96 g/mol. Its IUPAC name is 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol
PubChem CID107140564
Molecular FormulaC9H7Br2F3O
Molecular Weight347.96 g/mol
Exact Mass345.88
IUPAC Name1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol
SMILESCC(O)(c1ccc(F)c(Br)c1)C(F)(F)Br
InChIInChI=1S/C9H7Br2F3O/c1-8(15,9(11,13)14)5-2-3-7(12)6(10)4-5/h2-4,15H,1H3
InChIKeyVOUXAAGPTBWLOU-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.96
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol (CID 107140564) is 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol is CC(O)(c1ccc(F)c(Br)c1)C(F)(F)Br.
What is the InChIKey of 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol?
The InChIKey is VOUXAAGPTBWLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2F3O/c1-8(15,9(11,13)14)5-2-3-7(12)6(10)4-5/h2-4,15H,1H3.
What are the key properties of 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol?
1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol has a molecular weight of 347.96 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-bromo-4-fluorophenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 107140564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).