1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol

C13H12ClFOS — CID 62606347

IUPAC1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol
SMILESOC(Cc1cccc(F)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H12ClFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11,16H,7-8H2
InChIKeyPVYATXJIXIGUSR-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.69
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol

1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol (PubChem CID 62606347) has the molecular formula C13H12ClFOS and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol
PubChem CID62606347
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol
SMILESOC(Cc1cccc(F)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H12ClFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11,16H,7-8H2
InChIKeyPVYATXJIXIGUSR-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol (CID 62606347) is 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol is OC(Cc1cccc(F)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol?
The InChIKey is PVYATXJIXIGUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6,11,16H,7-8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol?
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-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-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 62606347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).