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

C10H12BrFO — CID 117369445

IUPAC2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFO/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChIKeyKQIABMPKBPUBQC-UHFFFAOYSA-N
MW247.11 g/mol
LogP2.86
Rot. Bonds2

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

2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 117369445) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
PubChem CID117369445
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H12BrFO/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChIKeyKQIABMPKBPUBQC-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
2-(3-amino-4-bromophenyl)-2-methylpropan-1-ol
CID 117113672
2-(4-bromo-3-fluorophenyl)propan-2-amine;hydrochloride
CID 155821579
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
1-(4-bromo-3-fluorophenyl)-1-phenylethanol
CID 66915422
2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol
CID 117432962
2-(3-bromo-4-pentan-3-ylphenyl)-2-methylpropan-1-ol
CID 117482119
2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117303145
2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol
CID 117340384
(2R)-3-(4-bromo-3-fluorophenoxy)-2-methylpropane-1,2-diol
CID 129250594
2-(3,4-diaminophenyl)-2-methylpropan-1-ol
CID 144721361
2-[4-[2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-2-yl]phenyl]-2-methylpropan-1-ol
CID 14440449

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol (CID 117369445) is 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is KQIABMPKBPUBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-10(2,6-13)7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol?
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 247.11 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117369445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).