1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol

C12H9ClF2OS — CID 80529585

IUPAC1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1c(F)cccc1F)c1sccc1Cl
InChIInChI=1S/C12H9ClF2OS/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11,16H,6H2
InChIKeyZVUNSSDKFPGWBG-UHFFFAOYSA-N
MW274.72 g/mol
LogP3.96
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol

1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol (PubChem CID 80529585) has the molecular formula C12H9ClF2OS and a molecular weight of 274.72 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
PubChem CID80529585
Molecular FormulaC12H9ClF2OS
Molecular Weight274.72 g/mol
Exact Mass274.00
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1c(F)cccc1F)c1sccc1Cl
InChIInChI=1S/C12H9ClF2OS/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11,16H,6H2
InChIKeyZVUNSSDKFPGWBG-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol 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

2-[1-bromo-2-(2,6-difluorophenyl)ethyl]-3-chlorothiophene
CID 80530359
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
3-chloro-2-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]thiophene
CID 80530346
1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 80530275
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
3-chloro-2-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80530594
[2-(2-chloro-3-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105332778

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol (CID 80529585) is 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol is OC(Cc1c(F)cccc1F)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol?
The InChIKey is ZVUNSSDKFPGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2OS/c13-8-4-5-17-12(8)11(16)6-7-9(14)2-1-3-10(7)15/h1-5,11,16H,6H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol?
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol has a molecular weight of 274.72 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 80529585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).