(E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine

C6H11FN2 — CID 142441986

IUPAC(E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine
SMILES[H]/N=C/C(F)=C\N(C)CC
InChIInChI=1S/C6H11FN2/c1-3-9(2)5-6(7)4-8/h4-5,8H,3H2,1-2H3/b6-5+,8-4+
InChIKeyGATAYSVMCPAWLW-PTFSRLPTSA-N
MW130.17 g/mol
LogP1.40
Rot. Bonds3

About (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine

(E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine (PubChem CID 142441986) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine
PubChem CID142441986
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine
SMILES[H]/N=C/C(F)=C\N(C)CC
InChIInChI=1S/C6H11FN2/c1-3-9(2)5-6(7)4-8/h4-5,8H,3H2,1-2H3/b6-5+,8-4+
InChIKeyGATAYSVMCPAWLW-PTFSRLPTSA-N
XLogP1.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine?
The IUPAC name of (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine (CID 142441986) is (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine?
The canonical SMILES for (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine is [H]/N=C/C(F)=C\N(C)CC.
What is the InChIKey of (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine?
The InChIKey is GATAYSVMCPAWLW-PTFSRLPTSA-N. The full InChI is InChI=1S/C6H11FN2/c1-3-9(2)5-6(7)4-8/h4-5,8H,3H2,1-2H3/b6-5+,8-4+.
What are the key properties of (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine?
(E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine has a molecular weight of 130.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-fluoro-3-imino-N-methylprop-1-en-1-amine is sourced from PubChem (CID 142441986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).