1-(3-bromo-2,5-difluorophenyl)ethanol

C8H7BrF2O — CID 14621022

IUPAC1-(3-bromo-2,5-difluorophenyl)ethanol
SMILESCC(O)c1cc(F)cc(Br)c1F
InChIInChI=1S/C8H7BrF2O/c1-4(12)6-2-5(10)3-7(9)8(6)11/h2-4,12H,1H3
InChIKeyYYXFQNYDKJOXEI-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.78
Rot. Bonds1

About 1-(3-bromo-2,5-difluorophenyl)ethanol

1-(3-bromo-2,5-difluorophenyl)ethanol (PubChem CID 14621022) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-(3-bromo-2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2,5-difluorophenyl)ethanol
PubChem CID14621022
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name1-(3-bromo-2,5-difluorophenyl)ethanol
SMILESCC(O)c1cc(F)cc(Br)c1F
InChIInChI=1S/C8H7BrF2O/c1-4(12)6-2-5(10)3-7(9)8(6)11/h2-4,12H,1H3
InChIKeyYYXFQNYDKJOXEI-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-6-(1-hydroxyethyl)phenol
CID 84698226
1-(3-bromo-5-fluoro-2-methylphenyl)ethanol
CID 84696341
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
1-bromo-3-(difluoromethyl)-5-fluoro-2-methylbenzene
CID 131267533
1-(2,6-dibromo-3-fluoro-4-pyridinyl)ethanol
CID 164894161
tert-butyl N-[(1R)-1-(3-bromo-2,5-difluorophenyl)ethyl]carbamate
CID 162452517
2-[(1R)-1-aminoethyl]-6-bromo-4-fluoroaniline
CID 131118932
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanol
CID 65439372
1-[2-bromo-6-(difluoromethyl)-4-fluorophenyl]ethanone
CID 131295838
2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228
3-bromo-5-fluoro-2-(1-hydroxyethyl)benzonitrile
CID 171064500
1-(3-bromo-2-fluoro-5,6-dimethylphenyl)ethanol
CID 117369438

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,5-difluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2,5-difluorophenyl)ethanol (CID 14621022) is 1-(3-bromo-2,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2,5-difluorophenyl)ethanol is CC(O)c1cc(F)cc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,5-difluorophenyl)ethanol?
The InChIKey is YYXFQNYDKJOXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c1-4(12)6-2-5(10)3-7(9)8(6)11/h2-4,12H,1H3.
What are the key properties of 1-(3-bromo-2,5-difluorophenyl)ethanol?
1-(3-bromo-2,5-difluorophenyl)ethanol has a molecular weight of 237.04 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,5-difluorophenyl)ethanol is sourced from PubChem (CID 14621022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).