(Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine

C5H9FN2 — CID 155136872

IUPAC(Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine
SMILESCC(=C/N)/C=N/CF
InChIInChI=1S/C5H9FN2/c1-5(2-7)3-8-4-6/h2-3H,4,7H2,1H3/b5-2-,8-3+
InChIKeyAUMYDHVLKXRVCI-IEQZRIFLSA-N
MW116.14 g/mol
LogP0.85
Rot. Bonds2

About (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine

(Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine (PubChem CID 155136872) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine
PubChem CID155136872
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine
SMILESCC(=C/N)/C=N/CF
InChIInChI=1S/C5H9FN2/c1-5(2-7)3-8-4-6/h2-3H,4,7H2,1H3/b5-2-,8-3+
InChIKeyAUMYDHVLKXRVCI-IEQZRIFLSA-N
XLogP0.85
TPSA38.38 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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-5-methyl-1,2-dihydropyrimidine
CID 21612229
(E)-2-fluoro-3-methyliminoprop-1-en-1-amine
CID 87688897
2-fluoro-N'-propylideneprop-2-ene-1,3-diimine
CID 123333938
(Z)-3-amino-2-methylprop-2-enimidoyl fluoride
CID 138494940
(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 138628577
(E)-2-[[(E)-2-(trifluoromethyl)but-2-enylidene]amino]ethenamine
CID 143245775
N-[(E)-2-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 143939006
(Z,3E)-3-(difluoromethylimino)-2-methylprop-1-en-1-amine
CID 144443620
dimethyl-[(Z)-3-(methylamino)-2-(trifluoromethyl)prop-2-enylidene]azanium
CID 144448385
(Z)-2-methyl-3-(methylamino)prop-2-enimidoyl fluoride
CID 146384592
2-(aminomethylidene)-N,3-dimethylbutanimidoyl fluoride
CID 147306401
2-Fluoro-3-methyliminoprop-1-en-1-amine
CID 147359228

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine?
The IUPAC name of (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine (CID 155136872) is (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine.
What is the SMILES notation for (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine?
The canonical SMILES for (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine is CC(=C/N)/C=N/CF.
What is the InChIKey of (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine?
The InChIKey is AUMYDHVLKXRVCI-IEQZRIFLSA-N. The full InChI is InChI=1S/C5H9FN2/c1-5(2-7)3-8-4-6/h2-3H,4,7H2,1H3/b5-2-,8-3+.
What are the key properties of (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine?
(Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine has a molecular weight of 116.14 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(fluoromethylimino)-2-methylprop-1-en-1-amine is sourced from PubChem (CID 155136872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).