(2E)-2-(fluoromethylidene)butanamide

C5H8FNO — CID 90023210

IUPAC(2E)-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-ONEGZZNKSA-N
MW117.12 g/mol
LogP0.74
Rot. Bonds2

About (2E)-2-(fluoromethylidene)butanamide

(2E)-2-(fluoromethylidene)butanamide (PubChem CID 90023210) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)butanamide.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)butanamide
PubChem CID90023210
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(2E)-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-ONEGZZNKSA-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

(2E)-2-ethyl-4-fluoropenta-2,4-dienamide
CID 170178694
(E)-2-ethylhex-2-enamide
CID 87982228
3-fluoro-2-methylprop-2-enamide
CID 140678662
4-cyclopropyl-2-ethylpenta-2,4-dienamide
CID 90933129
methane;propanamide
CID 160666730
2-ethylideneoctadecanamide
CID 141119567
(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide
CID 14329806
5-amino-2-ethylpent-2-enoic acid
CID 91086939
(Z)-3-carbamoylhex-2-enoic acid
CID 87098974
(2E)-6-cyano-2-ethylocta-2,5,7-trienamide
CID 142229752
ethyl 2-(fluoromethylidene)octanoate
CID 175267988
propanamide;thionyl dichloride
CID 161371403

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(fluoromethylidene)butanamide?
The IUPAC name of (2E)-2-(fluoromethylidene)butanamide (CID 90023210) is (2E)-2-(fluoromethylidene)butanamide.
What is the SMILES notation for (2E)-2-(fluoromethylidene)butanamide?
The canonical SMILES for (2E)-2-(fluoromethylidene)butanamide is CC/C(=C\F)C(N)=O.
What is the InChIKey of (2E)-2-(fluoromethylidene)butanamide?
The InChIKey is ZRPVPRUQVCCMMH-ONEGZZNKSA-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 (2E)-2-(fluoromethylidene)butanamide?
(2E)-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 (2E)-2-(fluoromethylidene)butanamide is sourced from PubChem (CID 90023210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).