1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol

C13H12BrFOS — CID 62606150

IUPAC1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol
SMILESOC(Cc1cccc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C13H12BrFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11,16H,7-8H2
InChIKeyPDCRIWMSQGSELS-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.80
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol

1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol (PubChem CID 62606150) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol
PubChem CID62606150
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol
SMILESOC(Cc1cccc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C13H12BrFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11,16H,7-8H2
InChIKeyPDCRIWMSQGSELS-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol (CID 62606150) is 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol is OC(Cc1cccc(F)c1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol?
The InChIKey is PDCRIWMSQGSELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11,16H,7-8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol?
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol has a molecular weight of 315.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 62606150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).