1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol

C13H12BrFOS — CID 115800366

IUPAC1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1cccc(F)c1Br
InChIInChI=1S/C13H12BrFOS/c14-13-10(4-1-5-11(13)15)12(16)7-6-9-3-2-8-17-9/h1-5,8,12,16H,6-7H2
InChIKeyRDQJZRVQSOIXBZ-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.32
Rot. Bonds4

About 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol

1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 115800366) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID115800366
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1cccc(F)c1Br
InChIInChI=1S/C13H12BrFOS/c14-13-10(4-1-5-11(13)15)12(16)7-6-9-3-2-8-17-9/h1-5,8,12,16H,6-7H2
InChIKeyRDQJZRVQSOIXBZ-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-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

1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
[1-(2-bromo-3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105295484
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
CID 115828339
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 115790217
1-(2,3-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65150953
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
CID 115810729
1-(2-bromo-3-fluorophenyl)hex-4-yn-1-ol
CID 115833631
2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene
CID 79455066
1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 65149932

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol (CID 115800366) is 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is RDQJZRVQSOIXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c14-13-10(4-1-5-11(13)15)12(16)7-6-9-3-2-8-17-9/h1-5,8,12,16H,6-7H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 315.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 115800366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).