(E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine

C5H7F3N2 — CID 171503795

IUPAC(E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine
SMILESN/C=C(F)\C=N\CC(F)F
InChIInChI=1S/C5H7F3N2/c6-4(1-9)2-10-3-5(7)8/h1-2,5H,3,9H2/b4-1+,10-2+
InChIKeyUUBKBJBWBPSVTC-FGNGZXAXSA-N
MW152.12 g/mol
LogP1.09
Rot. Bonds3

About (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine

(E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine (PubChem CID 171503795) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine
PubChem CID171503795
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name(E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine
SMILESN/C=C(F)\C=N\CC(F)F
InChIInChI=1S/C5H7F3N2/c6-4(1-9)2-10-3-5(7)8/h1-2,5H,3,9H2/b4-1+,10-2+
InChIKeyUUBKBJBWBPSVTC-FGNGZXAXSA-N
XLogP1.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.09
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)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine?
The IUPAC name of (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine (CID 171503795) is (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine.
What is the SMILES notation for (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine?
The canonical SMILES for (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine is N/C=C(F)\C=N\CC(F)F.
What is the InChIKey of (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine?
The InChIKey is UUBKBJBWBPSVTC-FGNGZXAXSA-N. The full InChI is InChI=1S/C5H7F3N2/c6-4(1-9)2-10-3-5(7)8/h1-2,5H,3,9H2/b4-1+,10-2+.
What are the key properties of (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine?
(E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine has a molecular weight of 152.12 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine is sourced from PubChem (CID 171503795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).