N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide

C7H10FNO — CID 87606209

IUPACN-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide
SMILESC=CC(F)NC(=O)C(=C)C
InChIInChI=1S/C7H10FNO/c1-4-6(8)9-7(10)5(2)3/h4,6H,1-2H2,3H3,(H,9,10)
InChIKeyBJSSYWFHBDKSGU-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.16
Rot. Bonds3

About N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide

N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide (PubChem CID 87606209) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide
PubChem CID87606209
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC NameN-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide
SMILESC=CC(F)NC(=O)C(=C)C
InChIInChI=1S/C7H10FNO/c1-4-6(8)9-7(10)5(2)3/h4,6H,1-2H2,3H3,(H,9,10)
InChIKeyBJSSYWFHBDKSGU-UHFFFAOYSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide (CID 87606209) is N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide is C=CC(F)NC(=O)C(=C)C.
What is the InChIKey of N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide?
The InChIKey is BJSSYWFHBDKSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-4-6(8)9-7(10)5(2)3/h4,6H,1-2H2,3H3,(H,9,10).
What are the key properties of N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide?
N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide has a molecular weight of 143.16 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroprop-2-enyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87606209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).