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

C13H13FOS — CID 65144889

IUPAC2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol
SMILESCC(O)(Cc1ccsc1)c1ccccc1F
InChIInChI=1S/C13H13FOS/c1-13(15,8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-7,9,15H,8H2,1H3
InChIKeyJQFAYHAKAUTLPX-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.34
Rot. Bonds3

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

2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol (PubChem CID 65144889) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol
PubChem CID65144889
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol
SMILESCC(O)(Cc1ccsc1)c1ccccc1F
InChIInChI=1S/C13H13FOS/c1-13(15,8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-7,9,15H,8H2,1H3
InChIKeyJQFAYHAKAUTLPX-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol?
The IUPAC name of 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol (CID 65144889) is 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol is CC(O)(Cc1ccsc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol?
The InChIKey is JQFAYHAKAUTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-13(15,8-10-6-7-16-9-10)11-4-2-3-5-12(11)14/h2-7,9,15H,8H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol?
2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 65144889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).