4-(difluoromethylimino)but-2-en-2-amine

C5H8F2N2 — CID 154561749

IUPAC4-(difluoromethylimino)but-2-en-2-amine
SMILESCC(N)=CC=NC(F)F
InChIInChI=1S/C5H8F2N2/c1-4(8)2-3-9-5(6)7/h2-3,5H,8H2,1H3
InChIKeyDACJVJQCWWFGBU-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.14
Rot. Bonds2

About 4-(difluoromethylimino)but-2-en-2-amine

4-(difluoromethylimino)but-2-en-2-amine (PubChem CID 154561749) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 4-(difluoromethylimino)but-2-en-2-amine.

Molecular Properties

Compound Name4-(difluoromethylimino)but-2-en-2-amine
PubChem CID154561749
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name4-(difluoromethylimino)but-2-en-2-amine
SMILESCC(N)=CC=NC(F)F
InChIInChI=1S/C5H8F2N2/c1-4(8)2-3-9-5(6)7/h2-3,5H,8H2,1H3
InChIKeyDACJVJQCWWFGBU-UHFFFAOYSA-N
XLogP1.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylimino)but-2-en-2-amine?
The IUPAC name of 4-(difluoromethylimino)but-2-en-2-amine (CID 154561749) is 4-(difluoromethylimino)but-2-en-2-amine.
What is the SMILES notation for 4-(difluoromethylimino)but-2-en-2-amine?
The canonical SMILES for 4-(difluoromethylimino)but-2-en-2-amine is CC(N)=CC=NC(F)F.
What is the InChIKey of 4-(difluoromethylimino)but-2-en-2-amine?
The InChIKey is DACJVJQCWWFGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-4(8)2-3-9-5(6)7/h2-3,5H,8H2,1H3.
What are the key properties of 4-(difluoromethylimino)but-2-en-2-amine?
4-(difluoromethylimino)but-2-en-2-amine has a molecular weight of 134.13 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylimino)but-2-en-2-amine is sourced from PubChem (CID 154561749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).