1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol

C13H11BrF2OS — CID 64560614

IUPAC1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Br)s1)Cc1ccc(F)cc1F
InChIInChI=1S/C13H11BrF2OS/c14-13-4-3-11(18-13)7-10(17)5-8-1-2-9(15)6-12(8)16/h1-4,6,10,17H,5,7H2
InChIKeyJSTQLWNZQGVOMB-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.93
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol

1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol (PubChem CID 64560614) has the molecular formula C13H11BrF2OS and a molecular weight of 333.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol
PubChem CID64560614
Molecular FormulaC13H11BrF2OS
Molecular Weight333.20 g/mol
Exact Mass331.97
IUPAC Name1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Br)s1)Cc1ccc(F)cc1F
InChIInChI=1S/C13H11BrF2OS/c14-13-4-3-11(18-13)7-10(17)5-8-1-2-9(15)6-12(8)16/h1-4,6,10,17H,5,7H2
InChIKeyJSTQLWNZQGVOMB-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)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-(2,4-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol (CID 64560614) is 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol is OC(Cc1ccc(Br)s1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol?
The InChIKey is JSTQLWNZQGVOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2OS/c14-13-4-3-11(18-13)7-10(17)5-8-1-2-9(15)6-12(8)16/h1-4,6,10,17H,5,7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol?
1-(5-bromothiophen-2-yl)-3-(2,4-difluorophenyl)propan-2-ol has a molecular weight of 333.20 g/mol, XLogP of 3.93, 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-(2,4-difluorophenyl)propan-2-ol is sourced from PubChem (CID 64560614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).