2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol

C9H9BrF2O — CID 130135914

IUPAC2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
SMILESCc1cc(C(F)(F)CO)ccc1Br
InChIInChI=1S/C9H9BrF2O/c1-6-4-7(2-3-8(6)10)9(11,12)5-13/h2-4,13H,5H2,1H3
InChIKeyLDFJJFMYWRCNLV-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol

2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol (PubChem CID 130135914) has the molecular formula C9H9BrF2O and a molecular weight of 251.07 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
PubChem CID130135914
Molecular FormulaC9H9BrF2O
Molecular Weight251.07 g/mol
Exact Mass249.98
IUPAC Name2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol
SMILESCc1cc(C(F)(F)CO)ccc1Br
InChIInChI=1S/C9H9BrF2O/c1-6-4-7(2-3-8(6)10)9(11,12)5-13/h2-4,13H,5H2,1H3
InChIKeyLDFJJFMYWRCNLV-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
1-bromo-4-(2-fluoropropan-2-yl)-2-methylbenzene;ethane
CID 176941673
2-(3-bromo-4-ethylsulfonylphenyl)-2,2-difluoroethanol
CID 105425116
2,2-difluoro-2-(4-methylphenyl)ethanol;ethane
CID 143007917
2-(4-bromo-3-methylphenyl)-2,2-difluoroacetamide
CID 130135911
2-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 58543608
2-(4-bromo-3-methylphenyl)-2-ethylbutanenitrile
CID 118431422
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
2-(4-bromo-3-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009815
2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol
CID 105425063
4-bromo-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 28574797

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol (CID 130135914) is 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol is Cc1cc(C(F)(F)CO)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol?
The InChIKey is LDFJJFMYWRCNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O/c1-6-4-7(2-3-8(6)10)9(11,12)5-13/h2-4,13H,5H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol?
2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol has a molecular weight of 251.07 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 130135914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).