(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine

C5H9FN2 — CID 135268079

IUPAC(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine
SMILES[H]/N=C(C)/C=C/N(C)F
InChIInChI=1S/C5H9FN2/c1-5(7)3-4-8(2)6/h3-4,7H,1-2H3/b4-3+,7-5+
InChIKeyKLQHSXPUGUGYCQ-BDWKERMESA-N
MW116.14 g/mol
LogP1.36
Rot. Bonds2

About (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine

(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine (PubChem CID 135268079) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine
PubChem CID135268079
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine
SMILES[H]/N=C(C)/C=C/N(C)F
InChIInChI=1S/C5H9FN2/c1-5(7)3-4-8(2)6/h3-4,7H,1-2H3/b4-3+,7-5+
InChIKeyKLQHSXPUGUGYCQ-BDWKERMESA-N
XLogP1.36
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine?
The IUPAC name of (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine (CID 135268079) is (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine.
What is the SMILES notation for (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine?
The canonical SMILES for (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine is [H]/N=C(C)/C=C/N(C)F.
What is the InChIKey of (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine?
The InChIKey is KLQHSXPUGUGYCQ-BDWKERMESA-N. The full InChI is InChI=1S/C5H9FN2/c1-5(7)3-4-8(2)6/h3-4,7H,1-2H3/b4-3+,7-5+.
What are the key properties of (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine?
(E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine has a molecular weight of 116.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-fluoro-3-imino-N-methylbut-1-en-1-amine is sourced from PubChem (CID 135268079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).