1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol

C14H15FOS — CID 164896730

IUPAC1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(-c2ccsc2)c(F)c1
InChIInChI=1S/C14H15FOS/c1-14(2,16)8-10-3-4-12(13(15)7-10)11-5-6-17-9-11/h3-7,9,16H,8H2,1-2H3
InChIKeyXCZSWZMLIYJAGO-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.87
Rot. Bonds3

About 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol

1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol (PubChem CID 164896730) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol
PubChem CID164896730
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(-c2ccsc2)c(F)c1
InChIInChI=1S/C14H15FOS/c1-14(2,16)8-10-3-4-12(13(15)7-10)11-5-6-17-9-11/h3-7,9,16H,8H2,1-2H3
InChIKeyXCZSWZMLIYJAGO-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol (CID 164896730) is 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(-c2ccsc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol?
The InChIKey is XCZSWZMLIYJAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c1-14(2,16)8-10-3-4-12(13(15)7-10)11-5-6-17-9-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol?
1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-thiophen-3-ylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 164896730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).