1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol

C11H13BrF2O2 — CID 107538296

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H13BrF2O2/c1-2-5-16-6-9(15)7-3-4-8(13)11(14)10(7)12/h3-4,9,15H,2,5-6H2,1H3
InChIKeyASNPFWVFTZAQPJ-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.19
Rot. Bonds5

About 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol

1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol (PubChem CID 107538296) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol
PubChem CID107538296
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1ccc(F)c(F)c1Br
InChIInChI=1S/C11H13BrF2O2/c1-2-5-16-6-9(15)7-3-4-8(13)11(14)10(7)12/h3-4,9,15H,2,5-6H2,1H3
InChIKeyASNPFWVFTZAQPJ-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-propoxy-1-(2,3,4-trifluorophenyl)ethanol
CID 62964280
1-(2-bromo-3-fluorophenyl)-2-propoxyethanol
CID 115818859
1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
1-(2-bromo-3,4-difluorophenyl)-2-(4-chlorophenyl)ethanol
CID 107538431
1-(3-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
1-(2,6-dimethyl-3-pyridinyl)-2-propoxyethanol
CID 105111964
1-(2-bromo-3,4-difluorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 107538257
1-(5-bromo-2-fluorophenyl)-3-propoxypropan-2-ol
CID 62607672
1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
CID 107538484
1-(2-bromo-3,4-difluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 107538543
1-(5-bromoquinolin-8-yl)-2-propoxyethanol
CID 112618151
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol (CID 107538296) is 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol is CCCOCC(O)c1ccc(F)c(F)c1Br.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol?
The InChIKey is ASNPFWVFTZAQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c1-2-5-16-6-9(15)7-3-4-8(13)11(14)10(7)12/h3-4,9,15H,2,5-6H2,1H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol?
1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol has a molecular weight of 295.12 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol is sourced from PubChem (CID 107538296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).