1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol

C10H12BrFO — CID 125466289

IUPAC1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFO/c1-10(2,13)6-7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChIKeyHQWRVCMLINQPLE-UHFFFAOYSA-N
MW247.11 g/mol
LogP2.90
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol

1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 125466289) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol
PubChem CID125466289
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFO/c1-10(2,13)6-7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChIKeyHQWRVCMLINQPLE-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol (CID 125466289) is 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is HQWRVCMLINQPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-10(2,13)6-7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol?
1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 247.11 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 125466289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).