2-(fluoromethylidene)butanamide

C5H8FNO — CID 140678663

IUPAC2-(fluoromethylidene)butanamide
SMILESCCC(=CF)C(N)=O
InChIInChI=1S/C5H8FNO/c1-2-4(3-6)5(7)8/h3H,2H2,1H3,(H2,7,8)
InChIKeyZRPVPRUQVCCMMH-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.74
Rot. Bonds2

About 2-(fluoromethylidene)butanamide

2-(fluoromethylidene)butanamide (PubChem CID 140678663) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 2-(fluoromethylidene)butanamide.

Molecular Properties

Compound Name2-(fluoromethylidene)butanamide
PubChem CID140678663
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name2-(fluoromethylidene)butanamide
SMILESCCC(=CF)C(N)=O
InChIInChI=1S/C5H8FNO/c1-2-4(3-6)5(7)8/h3H,2H2,1H3,(H2,7,8)
InChIKeyZRPVPRUQVCCMMH-UHFFFAOYSA-N
XLogP0.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylidene)butanamide?
The IUPAC name of 2-(fluoromethylidene)butanamide (CID 140678663) is 2-(fluoromethylidene)butanamide.
What is the SMILES notation for 2-(fluoromethylidene)butanamide?
The canonical SMILES for 2-(fluoromethylidene)butanamide is CCC(=CF)C(N)=O.
What is the InChIKey of 2-(fluoromethylidene)butanamide?
The InChIKey is ZRPVPRUQVCCMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-2-4(3-6)5(7)8/h3H,2H2,1H3,(H2,7,8).
What are the key properties of 2-(fluoromethylidene)butanamide?
2-(fluoromethylidene)butanamide has a molecular weight of 117.12 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylidene)butanamide is sourced from PubChem (CID 140678663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).