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

C14H15FOS — CID 154198770

IUPAC4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol
SMILESOCCCC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H15FOS/c15-12-7-5-11(6-8-12)13(3-1-9-16)14-4-2-10-17-14/h2,4-8,10,13,16H,1,3,9H2
InChIKeyVMQDMVIGMCDOMQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.79
Rot. Bonds5

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

4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol (PubChem CID 154198770) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol
PubChem CID154198770
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol
SMILESOCCCC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C14H15FOS/c15-12-7-5-11(6-8-12)13(3-1-9-16)14-4-2-10-17-14/h2,4-8,10,13,16H,1,3,9H2
InChIKeyVMQDMVIGMCDOMQ-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol?
The IUPAC name of 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol (CID 154198770) is 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol is OCCCC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol?
The InChIKey is VMQDMVIGMCDOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c15-12-7-5-11(6-8-12)13(3-1-9-16)14-4-2-10-17-14/h2,4-8,10,13,16H,1,3,9H2.
What are the key properties of 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol?
4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 154198770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).