5-fluoro-2-methylidenepentanal

C6H9FO — CID 156714911

IUPAC5-fluoro-2-methylidenepentanal
SMILESC=C(C=O)CCCF
InChIInChI=1S/C6H9FO/c1-6(5-8)3-2-4-7/h5H,1-4H2
InChIKeyNWGQNXJLXYZIMZ-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.49
Rot. Bonds4

About 5-fluoro-2-methylidenepentanal

5-fluoro-2-methylidenepentanal (PubChem CID 156714911) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 5-fluoro-2-methylidenepentanal.

Molecular Properties

Compound Name5-fluoro-2-methylidenepentanal
PubChem CID156714911
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name5-fluoro-2-methylidenepentanal
SMILESC=C(C=O)CCCF
InChIInChI=1S/C6H9FO/c1-6(5-8)3-2-4-7/h5H,1-4H2
InChIKeyNWGQNXJLXYZIMZ-UHFFFAOYSA-N
XLogP1.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylidenepentanal?
The IUPAC name of 5-fluoro-2-methylidenepentanal (CID 156714911) is 5-fluoro-2-methylidenepentanal.
What is the SMILES notation for 5-fluoro-2-methylidenepentanal?
The canonical SMILES for 5-fluoro-2-methylidenepentanal is C=C(C=O)CCCF.
What is the InChIKey of 5-fluoro-2-methylidenepentanal?
The InChIKey is NWGQNXJLXYZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-6(5-8)3-2-4-7/h5H,1-4H2.
What are the key properties of 5-fluoro-2-methylidenepentanal?
5-fluoro-2-methylidenepentanal has a molecular weight of 116.13 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylidenepentanal is sourced from PubChem (CID 156714911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).