4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine

C14H16FNS — CID 57259209

IUPAC4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine
SMILESNCCCCc1sccc1-c1ccc(F)cc1
InChIInChI=1S/C14H16FNS/c15-12-6-4-11(5-7-12)13-8-10-17-14(13)3-1-2-9-16/h4-8,10H,1-3,9,16H2
InChIKeyCGTXFTZNVSQOBJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.84
Rot. Bonds5

About 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine

4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 57259209) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine
PubChem CID57259209
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine
SMILESNCCCCc1sccc1-c1ccc(F)cc1
InChIInChI=1S/C14H16FNS/c15-12-6-4-11(5-7-12)13-8-10-17-14(13)3-1-2-9-16/h4-8,10H,1-3,9,16H2
InChIKeyCGTXFTZNVSQOBJ-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine (CID 57259209) is 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine is NCCCCc1sccc1-c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is CGTXFTZNVSQOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c15-12-6-4-11(5-7-12)13-8-10-17-14(13)3-1-2-9-16/h4-8,10H,1-3,9,16H2.
What are the key properties of 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine?
4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 57259209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).