3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol

C13H16BrFO — CID 83150924

IUPAC3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCC(CO)(Cc1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C13H16BrFO/c1-13(8-16,10-2-3-10)7-9-4-11(14)6-12(15)5-9/h4-6,10,16H,2-3,7-8H2,1H3
InChIKeyWEOXVPIQYADKBG-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.54
Rot. Bonds4

About 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol

3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol (PubChem CID 83150924) has the molecular formula C13H16BrFO and a molecular weight of 287.17 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol
PubChem CID83150924
Molecular FormulaC13H16BrFO
Molecular Weight287.17 g/mol
Exact Mass286.04
IUPAC Name3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCC(CO)(Cc1cc(F)cc(Br)c1)C1CC1
InChIInChI=1S/C13H16BrFO/c1-13(8-16,10-2-3-10)7-9-4-11(14)6-12(15)5-9/h4-6,10,16H,2-3,7-8H2,1H3
InChIKeyWEOXVPIQYADKBG-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-5-fluorophenyl)-N-tert-butyl-2-cyclopropyl-2-methylpropan-1-amine
CID 83159708
1-bromo-3-fluoro-5-(2-fluoro-2-methylpropyl)benzene;propane-1,3-diol
CID 143797670
3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567109
2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79711953
3-(4-tert-butylphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151038
1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
[2-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011817
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethylbutanoic acid
CID 79702744
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
1-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
CID 115822808

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol (CID 83150924) is 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol is CC(CO)(Cc1cc(F)cc(Br)c1)C1CC1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol?
The InChIKey is WEOXVPIQYADKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFO/c1-13(8-16,10-2-3-10)7-9-4-11(14)6-12(15)5-9/h4-6,10,16H,2-3,7-8H2,1H3.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol?
3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol has a molecular weight of 287.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-ol is sourced from PubChem (CID 83150924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).