3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol

C12H14BrFO2 — CID 103456877

IUPAC3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
SMILESOC(Cc1cccc(F)c1Br)C(O)C1CC1
InChIInChI=1S/C12H14BrFO2/c13-11-8(2-1-3-9(11)14)6-10(15)12(16)7-4-5-7/h1-3,7,10,12,15-16H,4-6H2
InChIKeyFXXYQOIVAJFWAX-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.26
Rot. Bonds4

About 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol

3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol (PubChem CID 103456877) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
PubChem CID103456877
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
SMILESOC(Cc1cccc(F)c1Br)C(O)C1CC1
InChIInChI=1S/C12H14BrFO2/c13-11-8(2-1-3-9(11)14)6-10(15)12(16)7-4-5-7/h1-3,7,10,12,15-16H,4-6H2
InChIKeyFXXYQOIVAJFWAX-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanol
CID 115826409
3-(2-bromo-3-fluorophenyl)-1-phenylpropane-1,2-diol
CID 103459440
1-(2-bromo-3-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 105020612
2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192743
2-(2-bromo-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105172197
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-bromo-3-fluorophenyl)ethanamine
CID 105020628
1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol
CID 115826470

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol?
The IUPAC name of 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol (CID 103456877) is 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol.
What is the SMILES notation for 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol?
The canonical SMILES for 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol is OC(Cc1cccc(F)c1Br)C(O)C1CC1.
What is the InChIKey of 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol?
The InChIKey is FXXYQOIVAJFWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-11-8(2-1-3-9(11)14)6-10(15)12(16)7-4-5-7/h1-3,7,10,12,15-16H,4-6H2.
What are the key properties of 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol?
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol has a molecular weight of 289.14 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol is sourced from PubChem (CID 103456877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).