2-fluoropent-4-enal

C5H7FO — CID 55266594

IUPAC2-fluoropent-4-enal
SMILESC=CCC(F)C=O
InChIInChI=1S/C5H7FO/c1-2-3-5(6)4-7/h2,4-5H,1,3H2
InChIKeyRWEHMJOZZQIFPW-UHFFFAOYSA-N
MW102.11 g/mol
LogP1.10
Rot. Bonds3

About 2-fluoropent-4-enal

2-fluoropent-4-enal (PubChem CID 55266594) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is 2-fluoropent-4-enal.

Molecular Properties

Compound Name2-fluoropent-4-enal
PubChem CID55266594
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name2-fluoropent-4-enal
SMILESC=CCC(F)C=O
InChIInChI=1S/C5H7FO/c1-2-3-5(6)4-7/h2,4-5H,1,3H2
InChIKeyRWEHMJOZZQIFPW-UHFFFAOYSA-N
XLogP1.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropent-4-enal?
The IUPAC name of 2-fluoropent-4-enal (CID 55266594) is 2-fluoropent-4-enal.
What is the SMILES notation for 2-fluoropent-4-enal?
The canonical SMILES for 2-fluoropent-4-enal is C=CCC(F)C=O.
What is the InChIKey of 2-fluoropent-4-enal?
The InChIKey is RWEHMJOZZQIFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c1-2-3-5(6)4-7/h2,4-5H,1,3H2.
What are the key properties of 2-fluoropent-4-enal?
2-fluoropent-4-enal has a molecular weight of 102.11 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropent-4-enal is sourced from PubChem (CID 55266594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).