1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol

C12H10ClFOS — CID 63094329

IUPAC1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7,12,15H,5H2
InChIKeyCKGNIUOKLUJEMY-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.82
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol

1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol (PubChem CID 63094329) has the molecular formula C12H10ClFOS and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
PubChem CID63094329
Molecular FormulaC12H10ClFOS
Molecular Weight256.73 g/mol
Exact Mass256.01
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7,12,15H,5H2
InChIKeyCKGNIUOKLUJEMY-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol 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-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 65148445
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
(1S)-2-bromo-1-(3-chloro-4-fluorophenyl)ethanol
CID 83001730
1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol
CID 61221529
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
3-[2-bromo-2-(3-bromo-4-fluorophenyl)ethyl]thiophene
CID 107958002
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol (CID 63094329) is 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol?
The InChIKey is CKGNIUOKLUJEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7,12,15H,5H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol?
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol has a molecular weight of 256.73 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 63094329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).