N-ethyl-1-fluoroethenamine

C4H8FN — CID 174640577

IUPACN-ethyl-1-fluoroethenamine
SMILESC=C(F)NCC
InChIInChI=1S/C4H8FN/c1-3-6-4(2)5/h6H,2-3H2,1H3
InChIKeyQUUMIFDPJSNLIF-UHFFFAOYSA-N
MW89.11 g/mol
LogP1.04
Rot. Bonds2

About N-ethyl-1-fluoroethenamine

N-ethyl-1-fluoroethenamine (PubChem CID 174640577) has the molecular formula C4H8FN and a molecular weight of 89.11 g/mol. Its IUPAC name is N-ethyl-1-fluoroethenamine.

Molecular Properties

Compound NameN-ethyl-1-fluoroethenamine
PubChem CID174640577
Molecular FormulaC4H8FN
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC NameN-ethyl-1-fluoroethenamine
SMILESC=C(F)NCC
InChIInChI=1S/C4H8FN/c1-3-6-4(2)5/h6H,2-3H2,1H3
InChIKeyQUUMIFDPJSNLIF-UHFFFAOYSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-fluoroethenamine?
The IUPAC name of N-ethyl-1-fluoroethenamine (CID 174640577) is N-ethyl-1-fluoroethenamine.
What is the SMILES notation for N-ethyl-1-fluoroethenamine?
The canonical SMILES for N-ethyl-1-fluoroethenamine is C=C(F)NCC.
What is the InChIKey of N-ethyl-1-fluoroethenamine?
The InChIKey is QUUMIFDPJSNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN/c1-3-6-4(2)5/h6H,2-3H2,1H3.
What are the key properties of N-ethyl-1-fluoroethenamine?
N-ethyl-1-fluoroethenamine has a molecular weight of 89.11 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-fluoroethenamine is sourced from PubChem (CID 174640577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).