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

C10H12BrFO — CID 129371245

IUPAC(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1ccc(Br)cc1F
InChIInChI=1S/C10H12BrFO/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10,13H,1-2H3/t10-/m0/s1
InChIKeyUENIBTJCNAAWMS-JTQLQIEISA-N
MW247.11 g/mol
LogP3.28
Rot. Bonds2

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

(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 129371245) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID129371245
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)[C@H](O)c1ccc(Br)cc1F
InChIInChI=1S/C10H12BrFO/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10,13H,1-2H3/t10-/m0/s1
InChIKeyUENIBTJCNAAWMS-JTQLQIEISA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 115347554
2-(aminomethyl)-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185739
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
2-amino-1-(4-bromo-2-fluorophenyl)propane-1,3-diol
CID 66204529
1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
1-(4-bromo-2-fluorophenyl)-3-methylbut-2-en-1-ol
CID 79190789
4-bromo-1-(1-chloropropan-2-yl)-2-fluorobenzene
CID 82973231
(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001577
2-(4-bromo-2-fluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-1-ol
CID 123306655
5-amino-4-(4-bromo-2-fluorophenyl)pentan-2-ol
CID 81422605

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol (CID 129371245) is (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol is CC(C)[C@H](O)c1ccc(Br)cc1F.
What is the InChIKey of (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is UENIBTJCNAAWMS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12BrFO/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-6,10,13H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol?
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 247.11 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 129371245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).