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

C13H13FOS — CID 63220221

IUPAC1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H13FOS/c1-13(15,12-3-2-8-16-12)9-10-4-6-11(14)7-5-10/h2-8,15H,9H2,1H3
InChIKeyZDTUODQPJOAQCY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.34
Rot. Bonds3

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

1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 63220221) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
PubChem CID63220221
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H13FOS/c1-13(15,12-3-2-8-16-12)9-10-4-6-11(14)7-5-10/h2-8,15H,9H2,1H3
InChIKeyZDTUODQPJOAQCY-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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Related Compounds

1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220635
1-(4-fluorophenyl)-2-methyl-3-thiophen-2-ylpropan-2-ol
CID 114833192
1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 112652973
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
2-(4-fluorophenyl)-N-(2-thiophen-2-ylpropan-2-yl)acetamide
CID 110870545
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 63220271
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol
CID 107045764
2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid
CID 107432653
1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 10659099
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol (CID 63220221) is 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol is CC(O)(Cc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is ZDTUODQPJOAQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-13(15,12-3-2-8-16-12)9-10-4-6-11(14)7-5-10/h2-8,15H,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol?
1-(4-fluorophenyl)-2-thiophen-2-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 1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 63220221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).