5-(5-fluoropentyl)thiophene-2-carbaldehyde

C10H13FOS — CID 118228976

IUPAC5-(5-fluoropentyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(CCCCCF)s1
InChIInChI=1S/C10H13FOS/c11-7-3-1-2-4-9-5-6-10(8-12)13-9/h5-6,8H,1-4,7H2
InChIKeyBCZAJGAEHXQRDF-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.24
Rot. Bonds6

About 5-(5-fluoropentyl)thiophene-2-carbaldehyde

5-(5-fluoropentyl)thiophene-2-carbaldehyde (PubChem CID 118228976) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(5-fluoropentyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-fluoropentyl)thiophene-2-carbaldehyde
PubChem CID118228976
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name5-(5-fluoropentyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(CCCCCF)s1
InChIInChI=1S/C10H13FOS/c11-7-3-1-2-4-9-5-6-10(8-12)13-9/h5-6,8H,1-4,7H2
InChIKeyBCZAJGAEHXQRDF-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropentyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-fluoropentyl)thiophene-2-carbaldehyde (CID 118228976) is 5-(5-fluoropentyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-fluoropentyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-fluoropentyl)thiophene-2-carbaldehyde is O=Cc1ccc(CCCCCF)s1.
What is the InChIKey of 5-(5-fluoropentyl)thiophene-2-carbaldehyde?
The InChIKey is BCZAJGAEHXQRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c11-7-3-1-2-4-9-5-6-10(8-12)13-9/h5-6,8H,1-4,7H2.
What are the key properties of 5-(5-fluoropentyl)thiophene-2-carbaldehyde?
5-(5-fluoropentyl)thiophene-2-carbaldehyde has a molecular weight of 200.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropentyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 118228976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).