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

C12H10ClFOS — CID 64713103

IUPAC1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1cccc(Cl)c1F
InChIInChI=1S/C12H10ClFOS/c13-10-5-1-4-9(12(10)14)11(15)7-8-3-2-6-16-8/h1-6,11,15H,7H2
InChIKeyWNFBGDVSCRREIA-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.82
Rot. Bonds3

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

1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol (PubChem CID 64713103) has the molecular formula C12H10ClFOS and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
PubChem CID64713103
Molecular FormulaC12H10ClFOS
Molecular Weight256.73 g/mol
Exact Mass256.01
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1cccc(Cl)c1F
InChIInChI=1S/C12H10ClFOS/c13-10-5-1-4-9(12(10)14)11(15)7-8-3-2-6-16-8/h1-6,11,15H,7H2
InChIKeyWNFBGDVSCRREIA-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

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Related Compounds

1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 81477466
2-(4-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712259
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712943
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 82793341
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 64712924
1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 64712768
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
1-(3-chloro-2-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487950

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol (CID 64713103) is 1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol is OC(Cc1cccs1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol?
The InChIKey is WNFBGDVSCRREIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFOS/c13-10-5-1-4-9(12(10)14)11(15)7-8-3-2-6-16-8/h1-6,11,15H,7H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol?
1-(3-chloro-2-fluorophenyl)-2-thiophen-2-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-2-fluorophenyl)-2-thiophen-2-ylethanol is sourced from PubChem (CID 64713103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).