1-[5-bromo-2-(difluoromethyl)phenyl]ethanol

C9H9BrF2O — CID 84707354

IUPAC1-[5-bromo-2-(difluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1C(F)F
InChIInChI=1S/C9H9BrF2O/c1-5(13)8-4-6(10)2-3-7(8)9(11)12/h2-5,9,13H,1H3
InChIKeyHBQGCGZRLVANBH-UHFFFAOYSA-N
MW251.07 g/mol
LogP3.44
Rot. Bonds2

About 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol

1-[5-bromo-2-(difluoromethyl)phenyl]ethanol (PubChem CID 84707354) has the molecular formula C9H9BrF2O and a molecular weight of 251.07 g/mol. Its IUPAC name is 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(difluoromethyl)phenyl]ethanol
PubChem CID84707354
Molecular FormulaC9H9BrF2O
Molecular Weight251.07 g/mol
Exact Mass249.98
IUPAC Name1-[5-bromo-2-(difluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1C(F)F
InChIInChI=1S/C9H9BrF2O/c1-5(13)8-4-6(10)2-3-7(8)9(11)12/h2-5,9,13H,1H3
InChIKeyHBQGCGZRLVANBH-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
1-[5-bromo-2-(2,5-difluorophenyl)sulfanylphenyl]ethanol
CID 82973110
(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113258
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-[4-bromo-2-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 82973483

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol (CID 84707354) is 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol is CC(O)c1cc(Br)ccc1C(F)F.
What is the InChIKey of 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol?
The InChIKey is HBQGCGZRLVANBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O/c1-5(13)8-4-6(10)2-3-7(8)9(11)12/h2-5,9,13H,1H3.
What are the key properties of 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol?
1-[5-bromo-2-(difluoromethyl)phenyl]ethanol has a molecular weight of 251.07 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(difluoromethyl)phenyl]ethanol is sourced from PubChem (CID 84707354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).