2-methylidenepentanoyl fluoride

C6H9FO — CID 154207655

IUPAC2-methylidenepentanoyl fluoride
SMILESC=C(CCC)C(=O)F
InChIInChI=1S/C6H9FO/c1-3-4-5(2)6(7)8/h2-4H2,1H3
InChIKeyVYWHJBKZYRLJHG-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.84
Rot. Bonds3

About 2-methylidenepentanoyl fluoride

2-methylidenepentanoyl fluoride (PubChem CID 154207655) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 2-methylidenepentanoyl fluoride.

Molecular Properties

Compound Name2-methylidenepentanoyl fluoride
PubChem CID154207655
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name2-methylidenepentanoyl fluoride
SMILESC=C(CCC)C(=O)F
InChIInChI=1S/C6H9FO/c1-3-4-5(2)6(7)8/h2-4H2,1H3
InChIKeyVYWHJBKZYRLJHG-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenepentanoyl fluoride?
The IUPAC name of 2-methylidenepentanoyl fluoride (CID 154207655) is 2-methylidenepentanoyl fluoride.
What is the SMILES notation for 2-methylidenepentanoyl fluoride?
The canonical SMILES for 2-methylidenepentanoyl fluoride is C=C(CCC)C(=O)F.
What is the InChIKey of 2-methylidenepentanoyl fluoride?
The InChIKey is VYWHJBKZYRLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c1-3-4-5(2)6(7)8/h2-4H2,1H3.
What are the key properties of 2-methylidenepentanoyl fluoride?
2-methylidenepentanoyl fluoride has a molecular weight of 116.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepentanoyl fluoride is sourced from PubChem (CID 154207655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).