(E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol

C4H6F2N2O — CID 142456213

IUPAC(E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol
SMILESN/C=C(O)\C=N\C(F)F
InChIInChI=1S/C4H6F2N2O/c5-4(6)8-2-3(9)1-7/h1-2,4,9H,7H2/b3-1+,8-2+
InChIKeyGFFGZSJJFJTKKA-OWEXKTHJSA-N
MW136.10 g/mol
LogP0.64
Rot. Bonds2

About (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol

(E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol (PubChem CID 142456213) has the molecular formula C4H6F2N2O and a molecular weight of 136.10 g/mol. Its IUPAC name is (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol.

Molecular Properties

Compound Name(E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol
PubChem CID142456213
Molecular FormulaC4H6F2N2O
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name(E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol
SMILESN/C=C(O)\C=N\C(F)F
InChIInChI=1S/C4H6F2N2O/c5-4(6)8-2-3(9)1-7/h1-2,4,9H,7H2/b3-1+,8-2+
InChIKeyGFFGZSJJFJTKKA-OWEXKTHJSA-N
XLogP0.64
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol?
The IUPAC name of (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol (CID 142456213) is (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol.
What is the SMILES notation for (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol?
The canonical SMILES for (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol is N/C=C(O)\C=N\C(F)F.
What is the InChIKey of (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol?
The InChIKey is GFFGZSJJFJTKKA-OWEXKTHJSA-N. The full InChI is InChI=1S/C4H6F2N2O/c5-4(6)8-2-3(9)1-7/h1-2,4,9H,7H2/b3-1+,8-2+.
What are the key properties of (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol?
(E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol has a molecular weight of 136.10 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-ol is sourced from PubChem (CID 142456213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).