1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol

C12H14BrFO — CID 115810729

IUPAC1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
SMILESOC(CCC1CC1)c1cccc(F)c1Br
InChIInChI=1S/C12H14BrFO/c13-12-9(2-1-3-10(12)14)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2
InChIKeyKPELHNYEVDIYRB-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.81
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol

1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol (PubChem CID 115810729) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
PubChem CID115810729
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
SMILESOC(CCC1CC1)c1cccc(F)c1Br
InChIInChI=1S/C12H14BrFO/c13-12-9(2-1-3-10(12)14)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2
InChIKeyKPELHNYEVDIYRB-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816
3-cyclopropyl-1-(2,6-difluorophenyl)propan-1-ol
CID 79522397
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
CID 115828339
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1-(2-bromo-3-fluorophenyl)pent-4-yn-1-ol
CID 115799381
1-(2-bromo-3-fluorophenyl)hex-4-yn-1-ol
CID 115833631
1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine
CID 104995027
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
CID 171267994
3-cyclopentyl-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115797110
1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 115796476
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol (CID 115810729) is 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol is OC(CCC1CC1)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol?
The InChIKey is KPELHNYEVDIYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c13-12-9(2-1-3-10(12)14)11(15)7-6-8-4-5-8/h1-3,8,11,15H,4-7H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol?
1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol has a molecular weight of 273.14 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol is sourced from PubChem (CID 115810729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).