(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol

C9H10BrFO — CID 103920536

IUPAC(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
SMILESCC[C@H](O)c1cc(F)ccc1Br
InChIInChI=1S/C9H10BrFO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9,12H,2H2,1H3/t9-/m0/s1
InChIKeyZSEDPBBOVDTJBI-VIFPVBQESA-N
MW233.08 g/mol
LogP3.03
Rot. Bonds2

About (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol

(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol (PubChem CID 103920536) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
PubChem CID103920536
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
SMILESCC[C@H](O)c1cc(F)ccc1Br
InChIInChI=1S/C9H10BrFO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9,12H,2H2,1H3/t9-/m0/s1
InChIKeyZSEDPBBOVDTJBI-VIFPVBQESA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
4-fluoro-2-(1-hydroxypropyl)phenol
CID 82268240
1-(2-bromo-5-fluorophenyl)pent-3-yn-1-ol
CID 115779984
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018417
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol
CID 115804823
1-(2-bromo-5-fluorophenyl)hex-5-yn-1-ol
CID 115831811
ethyl 2-[(2-bromo-5-fluorophenyl)-hydroxymethyl]butanoate
CID 114078036
(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114213050
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-fluorophenyl)ethanol
CID 115826503

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol?
The IUPAC name of (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol (CID 103920536) is (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol is CC[C@H](O)c1cc(F)ccc1Br.
What is the InChIKey of (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol?
The InChIKey is ZSEDPBBOVDTJBI-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10BrFO/c1-2-9(12)7-5-6(11)3-4-8(7)10/h3-5,9,12H,2H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol?
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol has a molecular weight of 233.08 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 103920536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).