2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol

C12H14BrFO — CID 65422333

IUPAC2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFO/c1-7-4-10(7)12(15)5-8-2-3-9(13)6-11(8)14/h2-3,6-7,10,12,15H,4-5H2,1H3
InChIKeyXLPRELSXTRAJFZ-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol (PubChem CID 65422333) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
PubChem CID65422333
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
SMILESCC1CC1C(O)Cc1ccc(Br)cc1F
InChIInChI=1S/C12H14BrFO/c1-7-4-10(7)12(15)5-8-2-3-9(13)6-11(8)14/h2-3,6-7,10,12,15H,4-5H2,1H3
InChIKeyXLPRELSXTRAJFZ-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol (CID 65422333) is 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol is CC1CC1C(O)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol?
The InChIKey is XLPRELSXTRAJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-7-4-10(7)12(15)5-8-2-3-9(13)6-11(8)14/h2-3,6-7,10,12,15H,4-5H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol has a molecular weight of 273.14 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(2-methylcyclopropyl)ethanol is sourced from PubChem (CID 65422333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).