(E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine

C6H10F2N2O — CID 156818865

IUPAC(E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine
SMILESCO/C(N)=C(C)/C=N/C(F)F
InChIInChI=1S/C6H10F2N2O/c1-4(5(9)11-2)3-10-6(7)8/h3,6H,9H2,1-2H3/b5-4+,10-3+
InChIKeySEOHFCORELFACP-RUQOPNIZSA-N
MW164.16 g/mol
LogP1.12
Rot. Bonds3

About (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine

(E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine (PubChem CID 156818865) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine
PubChem CID156818865
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name(E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine
SMILESCO/C(N)=C(C)/C=N/C(F)F
InChIInChI=1S/C6H10F2N2O/c1-4(5(9)11-2)3-10-6(7)8/h3,6H,9H2,1-2H3/b5-4+,10-3+
InChIKeySEOHFCORELFACP-RUQOPNIZSA-N
XLogP1.12
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
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)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine?
The IUPAC name of (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine (CID 156818865) is (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine.
What is the SMILES notation for (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine?
The canonical SMILES for (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine is CO/C(N)=C(C)/C=N/C(F)F.
What is the InChIKey of (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine?
The InChIKey is SEOHFCORELFACP-RUQOPNIZSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-4(5(9)11-2)3-10-6(7)8/h3,6H,9H2,1-2H3/b5-4+,10-3+.
What are the key properties of (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine?
(E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine has a molecular weight of 164.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine is sourced from PubChem (CID 156818865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).