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

C13H12ClFOS — CID 55237679

IUPAC1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H12ClFOS/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13,16H,4,6H2
InChIKeyDLDSYBADWSGEHA-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.21
Rot. Bonds4

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

1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 55237679) 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-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID55237679
Molecular FormulaC13H12ClFOS
Molecular Weight270.76 g/mol
Exact Mass270.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H12ClFOS/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13,16H,4,6H2
InChIKeyDLDSYBADWSGEHA-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol (CID 55237679) is 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is DLDSYBADWSGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFOS/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8,13,16H,4,6H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol?
1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 270.76 g/mol, XLogP of 4.21, 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-1-ol is sourced from PubChem (CID 55237679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).