3-(2-bromophenyl)-1,1-difluoropropan-2-ol

C9H9BrF2O — CID 112699172

IUPAC3-(2-bromophenyl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1ccccc1Br)C(F)F
InChIInChI=1S/C9H9BrF2O/c10-7-4-2-1-3-6(7)5-8(13)9(11)12/h1-4,8-9,13H,5H2
InChIKeyMVWKJLCHHWVUBT-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.62
Rot. Bonds3

About 3-(2-bromophenyl)-1,1-difluoropropan-2-ol

3-(2-bromophenyl)-1,1-difluoropropan-2-ol (PubChem CID 112699172) has the molecular formula C9H9BrF2O and a molecular weight of 251.07 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-bromophenyl)-1,1-difluoropropan-2-ol
PubChem CID112699172
Molecular FormulaC9H9BrF2O
Molecular Weight251.07 g/mol
Exact Mass249.98
IUPAC Name3-(2-bromophenyl)-1,1-difluoropropan-2-ol
SMILESOC(Cc1ccccc1Br)C(F)F
InChIInChI=1S/C9H9BrF2O/c10-7-4-2-1-3-6(7)5-8(13)9(11)12/h1-4,8-9,13H,5H2
InChIKeyMVWKJLCHHWVUBT-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 55202022
2-[(2-bromophenyl)methyl]-3,3-difluoropropan-1-amine
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3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575389
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(2R)-1-(2-bromophenyl)pentan-2-ol
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2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
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2-(2-bromophenyl)-1-pyrimidin-2-ylethanol
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(2-bromophenyl)-1,1-difluoropropan-2-ol (CID 112699172) is 3-(2-bromophenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(2-bromophenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(2-bromophenyl)-1,1-difluoropropan-2-ol is OC(Cc1ccccc1Br)C(F)F.
What is the InChIKey of 3-(2-bromophenyl)-1,1-difluoropropan-2-ol?
The InChIKey is MVWKJLCHHWVUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O/c10-7-4-2-1-3-6(7)5-8(13)9(11)12/h1-4,8-9,13H,5H2.
What are the key properties of 3-(2-bromophenyl)-1,1-difluoropropan-2-ol?
3-(2-bromophenyl)-1,1-difluoropropan-2-ol has a molecular weight of 251.07 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112699172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).