1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol

C13H12ClFOS — CID 65149932

IUPAC1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H12ClFOS/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13,16H,4,6H2
InChIKeyXBRRAFHYFMGGCW-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.21
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol

1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 65149932) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID65149932
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H12ClFOS/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13,16H,4,6H2
InChIKeyXBRRAFHYFMGGCW-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-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-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 107993297
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
1-(4-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 107894455
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800331
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800352
1-[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 110052318
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 75498486
1-(2-bromo-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 115800366
[1-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105201470
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol (CID 65149932) is 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is XBRRAFHYFMGGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c14-11-5-3-9(8-12(11)15)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13,16H,4,6H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 270.76 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65149932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).