(E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine

C5H8F2N2 — CID 118153064

IUPAC(E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine
SMILESC/C=C/N/N=C/C(F)F
InChIInChI=1S/C5H8F2N2/c1-2-3-8-9-4-5(6)7/h2-5,8H,1H3/b3-2+,9-4+
InChIKeyGKAWBFKVGPVXFL-DSXPNFDZSA-N
MW134.13 g/mol
LogP1.36
Rot. Bonds3

About (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine

(E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine (PubChem CID 118153064) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine
PubChem CID118153064
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name(E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine
SMILESC/C=C/N/N=C/C(F)F
InChIInChI=1S/C5H8F2N2/c1-2-3-8-9-4-5(6)7/h2-5,8H,1H3/b3-2+,9-4+
InChIKeyGKAWBFKVGPVXFL-DSXPNFDZSA-N
XLogP1.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine?
The IUPAC name of (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine (CID 118153064) is (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine?
The canonical SMILES for (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine is C/C=C/N/N=C/C(F)F.
What is the InChIKey of (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine?
The InChIKey is GKAWBFKVGPVXFL-DSXPNFDZSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-2-3-8-9-4-5(6)7/h2-5,8H,1H3/b3-2+,9-4+.
What are the key properties of (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine?
(E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine has a molecular weight of 134.13 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-2,2-difluoroethylideneamino]prop-1-en-1-amine is sourced from PubChem (CID 118153064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).