(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine

C5H9FN2 — CID 166751069

IUPAC(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(F)=C\NC
InChIInChI=1S/C5H9FN2/c1-7-3-5(6)4-8-2/h3-4,7H,1-2H3/b5-3+,8-4+
InChIKeyGRTONRQSQYBYGD-MSLMYCKWSA-N
MW116.14 g/mol
LogP0.72
Rot. Bonds2

About (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine

(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine (PubChem CID 166751069) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
PubChem CID166751069
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(F)=C\NC
InChIInChI=1S/C5H9FN2/c1-7-3-5(6)4-8-2/h3-4,7H,1-2H3/b5-3+,8-4+
InChIKeyGRTONRQSQYBYGD-MSLMYCKWSA-N
XLogP0.72
TPSA24.39 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 ≤ 50.72
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)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine (CID 166751069) is (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine is C/N=C/C(F)=C\NC.
What is the InChIKey of (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is GRTONRQSQYBYGD-MSLMYCKWSA-N. The full InChI is InChI=1S/C5H9FN2/c1-7-3-5(6)4-8-2/h3-4,7H,1-2H3/b5-3+,8-4+.
What are the key properties of (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine?
(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 116.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 166751069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).