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

C13H13FOS — CID 62500658

IUPAC1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
SMILESOC(Cc1cccs1)Cc1ccccc1F
InChIInChI=1S/C13H13FOS/c14-13-6-2-1-4-10(13)8-11(15)9-12-5-3-7-16-12/h1-7,11,15H,8-9H2
InChIKeyZCGVYQTYAYQZHY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.03
Rot. Bonds4

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

1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol (PubChem CID 62500658) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
PubChem CID62500658
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
SMILESOC(Cc1cccs1)Cc1ccccc1F
InChIInChI=1S/C13H13FOS/c14-13-6-2-1-4-10(13)8-11(15)9-12-5-3-7-16-12/h1-7,11,15H,8-9H2
InChIKeyZCGVYQTYAYQZHY-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 114854584
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221
1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
CID 62606396
1-(2-fluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642497
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62502351
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol (CID 62500658) is 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol is OC(Cc1cccs1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol?
The InChIKey is ZCGVYQTYAYQZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c14-13-6-2-1-4-10(13)8-11(15)9-12-5-3-7-16-12/h1-7,11,15H,8-9H2.
What are the key properties of 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol?
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 62500658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).