1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol

C13H12F2OS — CID 62501349

IUPAC1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol
SMILESOC(Cc1cccs1)Cc1ccc(F)cc1F
InChIInChI=1S/C13H12F2OS/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
InChIKeyYKNXIYLOSNXDDZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.17
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol

1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol (PubChem CID 62501349) has the molecular formula C13H12F2OS and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol
PubChem CID62501349
Molecular FormulaC13H12F2OS
Molecular Weight254.30 g/mol
Exact Mass254.06
IUPAC Name1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol
SMILESOC(Cc1cccs1)Cc1ccc(F)cc1F
InChIInChI=1S/C13H12F2OS/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
InChIKeyYKNXIYLOSNXDDZ-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol (CID 62501349) is 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol is OC(Cc1cccs1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The InChIKey is YKNXIYLOSNXDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2OS/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-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol?
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 62501349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).