N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine

C6H7F3N2 — CID 138514240

IUPACN-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine
SMILESC=CN/N=C(\C=C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-10-4-2/h3-4,10H,1-2H2/b11-5+
InChIKeyXQQJRQKVRILRNX-VZUCSPMQSA-N
MW164.13 g/mol
LogP1.82
Rot. Bonds3

About N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine

N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine (PubChem CID 138514240) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine.

Molecular Properties

Compound NameN-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine
PubChem CID138514240
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine
SMILESC=CN/N=C(\C=C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-10-4-2/h3-4,10H,1-2H2/b11-5+
InChIKeyXQQJRQKVRILRNX-VZUCSPMQSA-N
XLogP1.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.82
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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Related Compounds

1-methanidyl-3-(trifluoromethyl)-1H-pyrazol-1-ium
CID 89027379
(Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine
CID 142218917
3-(trifluoromethyl)-1H-pyrazol-1-ium
CID 143235174
(E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine
CID 143775396
N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
CID 143966920
3-(Trifluoromethyl)-1,4-dihydropyridazine
CID 162534477
4,4,4-Trifluoro-3-iminobut-1-en-1-amine
CID 162535113
N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]ethenamine
CID 172939954
1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium
CID 173171017
(Z)-4,4,4-trifluoro-3-iminobut-1-en-1-amine
CID 162575792
1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium iodide
CID 162616565
N-[(Z)-but-3-en-2-ylideneamino]ethenamine
CID 167053572

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine?
The IUPAC name of N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine (CID 138514240) is N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine.
What is the SMILES notation for N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine?
The canonical SMILES for N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine is C=CN/N=C(\C=C)C(F)(F)F.
What is the InChIKey of N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine?
The InChIKey is XQQJRQKVRILRNX-VZUCSPMQSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-10-4-2/h3-4,10H,1-2H2/b11-5+.
What are the key properties of N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine?
N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine has a molecular weight of 164.13 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine is sourced from PubChem (CID 138514240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).