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

C13H12ClFOS — CID 112652973

IUPAC1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)c1cccs1
InChIInChI=1S/C13H12ClFOS/c1-13(16,11-6-3-7-17-11)8-9-4-2-5-10(15)12(9)14/h2-7,16H,8H2,1H3
InChIKeyMGLNIAHECPNRJT-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.99
Rot. Bonds3

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

1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 112652973) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
PubChem CID112652973
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1cccc(F)c1Cl)c1cccs1
InChIInChI=1S/C13H12ClFOS/c1-13(16,11-6-3-7-17-11)8-9-4-2-5-10(15)12(9)14/h2-7,16H,8H2,1H3
InChIKeyMGLNIAHECPNRJT-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

1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 65145566
1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220635
1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220221
2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112652949
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol
CID 112653159
4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865539
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol (CID 112652973) is 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol is CC(O)(Cc1cccc(F)c1Cl)c1cccs1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is MGLNIAHECPNRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c1-13(16,11-6-3-7-17-11)8-9-4-2-5-10(15)12(9)14/h2-7,16H,8H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-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 1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 112652973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).