1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol

C13H12F2OS — CID 63220635

IUPAC1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1cc(F)ccc1F)c1cccs1
InChIInChI=1S/C13H12F2OS/c1-13(16,12-3-2-6-17-12)8-9-7-10(14)4-5-11(9)15/h2-7,16H,8H2,1H3
InChIKeySCYMHQXJDQDGEG-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.48
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol

1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 63220635) has the molecular formula C13H12F2OS and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
PubChem CID63220635
Molecular FormulaC13H12F2OS
Molecular Weight254.30 g/mol
Exact Mass254.06
IUPAC Name1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1cc(F)ccc1F)c1cccs1
InChIInChI=1S/C13H12F2OS/c1-13(16,12-3-2-6-17-12)8-9-7-10(14)4-5-11(9)15/h2-7,16H,8H2,1H3
InChIKeySCYMHQXJDQDGEG-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol (CID 63220635) is 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol is CC(O)(Cc1cc(F)ccc1F)c1cccs1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is SCYMHQXJDQDGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2OS/c1-13(16,12-3-2-6-17-12)8-9-7-10(14)4-5-11(9)15/h2-7,16H,8H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol?
1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol has a molecular weight of 254.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 63220635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).