4-fluoro-2-methylidenebutanamide

C5H8FNO — CID 176577391

IUPAC4-fluoro-2-methylidenebutanamide
SMILESC=C(CCF)C(N)=O
InChIInChI=1S/C5H8FNO/c1-4(2-3-6)5(7)8/h1-3H2,(H2,7,8)
InChIKeyDWENQDZMMKKYKD-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.39
Rot. Bonds3

About 4-fluoro-2-methylidenebutanamide

4-fluoro-2-methylidenebutanamide (PubChem CID 176577391) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 4-fluoro-2-methylidenebutanamide.

Molecular Properties

Compound Name4-fluoro-2-methylidenebutanamide
PubChem CID176577391
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name4-fluoro-2-methylidenebutanamide
SMILESC=C(CCF)C(N)=O
InChIInChI=1S/C5H8FNO/c1-4(2-3-6)5(7)8/h1-3H2,(H2,7,8)
InChIKeyDWENQDZMMKKYKD-UHFFFAOYSA-N
XLogP0.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.39
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 4-fluoro-2-methylidenebutanamide?
The IUPAC name of 4-fluoro-2-methylidenebutanamide (CID 176577391) is 4-fluoro-2-methylidenebutanamide.
What is the SMILES notation for 4-fluoro-2-methylidenebutanamide?
The canonical SMILES for 4-fluoro-2-methylidenebutanamide is C=C(CCF)C(N)=O.
What is the InChIKey of 4-fluoro-2-methylidenebutanamide?
The InChIKey is DWENQDZMMKKYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-4(2-3-6)5(7)8/h1-3H2,(H2,7,8).
What are the key properties of 4-fluoro-2-methylidenebutanamide?
4-fluoro-2-methylidenebutanamide has a molecular weight of 117.12 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylidenebutanamide is sourced from PubChem (CID 176577391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).