4-(fluoromethyl)-N-methylpent-4-enamide

C7H12FNO — CID 177050196

IUPAC4-(fluoromethyl)-N-methylpent-4-enamide
SMILESC=C(CF)CCC(=O)NC
InChIInChI=1S/C7H12FNO/c1-6(5-8)3-4-7(10)9-2/h1,3-5H2,2H3,(H,9,10)
InChIKeyBVHBXUDGYBAPBO-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.04
Rot. Bonds4

About 4-(fluoromethyl)-N-methylpent-4-enamide

4-(fluoromethyl)-N-methylpent-4-enamide (PubChem CID 177050196) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 4-(fluoromethyl)-N-methylpent-4-enamide.

Molecular Properties

Compound Name4-(fluoromethyl)-N-methylpent-4-enamide
PubChem CID177050196
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name4-(fluoromethyl)-N-methylpent-4-enamide
SMILESC=C(CF)CCC(=O)NC
InChIInChI=1S/C7H12FNO/c1-6(5-8)3-4-7(10)9-2/h1,3-5H2,2H3,(H,9,10)
InChIKeyBVHBXUDGYBAPBO-UHFFFAOYSA-N
XLogP1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-N-methylpent-4-enamide?
The IUPAC name of 4-(fluoromethyl)-N-methylpent-4-enamide (CID 177050196) is 4-(fluoromethyl)-N-methylpent-4-enamide.
What is the SMILES notation for 4-(fluoromethyl)-N-methylpent-4-enamide?
The canonical SMILES for 4-(fluoromethyl)-N-methylpent-4-enamide is C=C(CF)CCC(=O)NC.
What is the InChIKey of 4-(fluoromethyl)-N-methylpent-4-enamide?
The InChIKey is BVHBXUDGYBAPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(5-8)3-4-7(10)9-2/h1,3-5H2,2H3,(H,9,10).
What are the key properties of 4-(fluoromethyl)-N-methylpent-4-enamide?
4-(fluoromethyl)-N-methylpent-4-enamide has a molecular weight of 145.18 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-N-methylpent-4-enamide is sourced from PubChem (CID 177050196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).