N-(2-methylprop-1-enyl)ethanimidoyl fluoride

C6H10FN — CID 139386645

IUPACN-(2-methylprop-1-enyl)ethanimidoyl fluoride
SMILESCC(C)=C/N=C(\C)F
InChIInChI=1S/C6H10FN/c1-5(2)4-8-6(3)7/h4H,1-3H3/b8-6+
InChIKeyUAJQUBXFCRPNOI-SOFGYWHQSA-N
MW115.15 g/mol
LogP2.30
Rot. Bonds1

About N-(2-methylprop-1-enyl)ethanimidoyl fluoride

N-(2-methylprop-1-enyl)ethanimidoyl fluoride (PubChem CID 139386645) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)ethanimidoyl fluoride.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)ethanimidoyl fluoride
PubChem CID139386645
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC NameN-(2-methylprop-1-enyl)ethanimidoyl fluoride
SMILESCC(C)=C/N=C(\C)F
InChIInChI=1S/C6H10FN/c1-5(2)4-8-6(3)7/h4H,1-3H3/b8-6+
InChIKeyUAJQUBXFCRPNOI-SOFGYWHQSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)ethanimidoyl fluoride?
The IUPAC name of N-(2-methylprop-1-enyl)ethanimidoyl fluoride (CID 139386645) is N-(2-methylprop-1-enyl)ethanimidoyl fluoride.
What is the SMILES notation for N-(2-methylprop-1-enyl)ethanimidoyl fluoride?
The canonical SMILES for N-(2-methylprop-1-enyl)ethanimidoyl fluoride is CC(C)=C/N=C(\C)F.
What is the InChIKey of N-(2-methylprop-1-enyl)ethanimidoyl fluoride?
The InChIKey is UAJQUBXFCRPNOI-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H10FN/c1-5(2)4-8-6(3)7/h4H,1-3H3/b8-6+.
What are the key properties of N-(2-methylprop-1-enyl)ethanimidoyl fluoride?
N-(2-methylprop-1-enyl)ethanimidoyl fluoride has a molecular weight of 115.15 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)ethanimidoyl fluoride is sourced from PubChem (CID 139386645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).