1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol

C13H12ClFOS — CID 114854584

IUPAC1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
SMILESOC(Cc1cccs1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H12ClFOS/c14-10-4-3-9(13(15)7-10)6-11(16)8-12-2-1-5-17-12/h1-5,7,11,16H,6,8H2
InChIKeyAHQOYPDMQTYPBP-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.69
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol

1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol (PubChem CID 114854584) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
PubChem CID114854584
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
SMILESOC(Cc1cccs1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H12ClFOS/c14-10-4-3-9(13(15)7-10)6-11(16)8-12-2-1-5-17-12/h1-5,7,11,16H,6,8H2
InChIKeyAHQOYPDMQTYPBP-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
[1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211872
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-(4-chloro-2-fluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 114854587
4-amino-1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852702
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 114854536
1-(2,5-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105100465
1-(2,4-dichlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 60798841
[1-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 103053551
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-(4-chloro-2-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 114854652
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol (CID 114854584) is 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol is OC(Cc1cccs1)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The InChIKey is AHQOYPDMQTYPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c14-10-4-3-9(13(15)7-10)6-11(16)8-12-2-1-5-17-12/h1-5,7,11,16H,6,8H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol?
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol has a molecular weight of 270.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 114854584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).