2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol

C13H12ClFOS — CID 107359205

IUPAC2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)c1sccc1Cl
InChIInChI=1S/C13H12ClFOS/c1-13(16,12-10(14)6-7-17-12)8-9-4-2-3-5-11(9)15/h2-7,16H,8H2,1H3
InChIKeyCFSLQHZXXXADFL-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.99
Rot. Bonds3

About 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol

2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol (PubChem CID 107359205) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
PubChem CID107359205
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccccc1F)c1sccc1Cl
InChIInChI=1S/C13H12ClFOS/c1-13(16,12-10(14)6-7-17-12)8-9-4-2-3-5-11(9)15/h2-7,16H,8H2,1H3
InChIKeyCFSLQHZXXXADFL-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
2-(3-chlorothiophen-2-yl)pentan-2-ol
CID 107359110
2-(3-chlorothiophen-2-yl)-1-methoxypropan-2-ol
CID 107358992
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
2-(3-chlorothiophen-2-yl)propan-2-ol
CID 107358974
1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 114931026
1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 112652973
1-(3-chlorothiophen-2-yl)-1-phenylethanol
CID 107358959
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
2-(3,4-difluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol (CID 107359205) is 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol is CC(O)(Cc1ccccc1F)c1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol?
The InChIKey is CFSLQHZXXXADFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c1-13(16,12-10(14)6-7-17-12)8-9-4-2-3-5-11(9)15/h2-7,16H,8H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol?
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol has a molecular weight of 270.76 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 107359205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).