(2Z)-2-(fluoromethylidene)butanamide

C5H8FNO — CID 89339098

IUPAC(2Z)-2-(fluoromethylidene)butanamide
SMILESCC/C(=C/F)C(N)=O
InChIInChI=1S/C5H8FNO/c1-2-4(3-6)5(7)8/h3H,2H2,1H3,(H2,7,8)/b4-3-
InChIKeyZRPVPRUQVCCMMH-ARJAWSKDSA-N
MW117.12 g/mol
LogP0.74
Rot. Bonds2

About (2Z)-2-(fluoromethylidene)butanamide

(2Z)-2-(fluoromethylidene)butanamide (PubChem CID 89339098) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (2Z)-2-(fluoromethylidene)butanamide.

Molecular Properties

Compound Name(2Z)-2-(fluoromethylidene)butanamide
PubChem CID89339098
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(2Z)-2-(fluoromethylidene)butanamide
SMILESCC/C(=C/F)C(N)=O
InChIInChI=1S/C5H8FNO/c1-2-4(3-6)5(7)8/h3H,2H2,1H3,(H2,7,8)/b4-3-
InChIKeyZRPVPRUQVCCMMH-ARJAWSKDSA-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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Related Compounds

2,2-Difluoroethylacrylamide
CID 129218040
Ethylacrylamide
CID 1277665
Propylacrylamide
CID 12525274
2-Methylidenepent-4-enamide
CID 18352041
t-Butylacrylamide
CID 18539458
3-Methyl-2-methylidenebutanamide
CID 18798109
Mercapto ethylacrylamide
CID 129851681
(Z)-3-fluoro-2-methylprop-2-enamide
CID 19851280
3,3,4,4,4-Pentafluoro-2-methylidenebutanamide
CID 87269833
4,4,4-Trifluoro-2-methylidenebutanamide
CID 87278714
3-Fluoro-2-methylidenehexanamide
CID 87364885
3-Fluoro-2-methylidenepent-4-enamide
CID 87881753

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(fluoromethylidene)butanamide?
The IUPAC name of (2Z)-2-(fluoromethylidene)butanamide (CID 89339098) is (2Z)-2-(fluoromethylidene)butanamide.
What is the SMILES notation for (2Z)-2-(fluoromethylidene)butanamide?
The canonical SMILES for (2Z)-2-(fluoromethylidene)butanamide is CC/C(=C/F)C(N)=O.
What is the InChIKey of (2Z)-2-(fluoromethylidene)butanamide?
The InChIKey is ZRPVPRUQVCCMMH-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8FNO/c1-2-4(3-6)5(7)8/h3H,2H2,1H3,(H2,7,8)/b4-3-.
What are the key properties of (2Z)-2-(fluoromethylidene)butanamide?
(2Z)-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 (2Z)-2-(fluoromethylidene)butanamide is sourced from PubChem (CID 89339098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).