4-fluoropentyl thiophene-2-carboxylate

C10H13FO2S — CID 138725768

IUPAC4-fluoropentyl thiophene-2-carboxylate
SMILESCC(F)CCCOC(=O)c1cccs1
InChIInChI=1S/C10H13FO2S/c1-8(11)4-2-6-13-10(12)9-5-3-7-14-9/h3,5,7-8H,2,4,6H2,1H3
InChIKeyXAEAMPWNTNJNTL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.04
Rot. Bonds5

About 4-fluoropentyl thiophene-2-carboxylate

4-fluoropentyl thiophene-2-carboxylate (PubChem CID 138725768) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-fluoropentyl thiophene-2-carboxylate.

Molecular Properties

Compound Name4-fluoropentyl thiophene-2-carboxylate
PubChem CID138725768
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name4-fluoropentyl thiophene-2-carboxylate
SMILESCC(F)CCCOC(=O)c1cccs1
InChIInChI=1S/C10H13FO2S/c1-8(11)4-2-6-13-10(12)9-5-3-7-14-9/h3,5,7-8H,2,4,6H2,1H3
InChIKeyXAEAMPWNTNJNTL-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-fluoropentyl thiophene-2-carboxylate?
The IUPAC name of 4-fluoropentyl thiophene-2-carboxylate (CID 138725768) is 4-fluoropentyl thiophene-2-carboxylate.
What is the SMILES notation for 4-fluoropentyl thiophene-2-carboxylate?
The canonical SMILES for 4-fluoropentyl thiophene-2-carboxylate is CC(F)CCCOC(=O)c1cccs1.
What is the InChIKey of 4-fluoropentyl thiophene-2-carboxylate?
The InChIKey is XAEAMPWNTNJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2S/c1-8(11)4-2-6-13-10(12)9-5-3-7-14-9/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of 4-fluoropentyl thiophene-2-carboxylate?
4-fluoropentyl thiophene-2-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropentyl thiophene-2-carboxylate is sourced from PubChem (CID 138725768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).