copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene

C8H13CuF3N2 — CID 87979812

IUPACcopper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene
SMILESC=CC(F)(F)F.[Cu].[H]/N=C(\C)C=C(C)N
InChIInChI=1S/C5H10N2.C3H3F3.Cu/c1-4(6)3-5(2)7;1-2-3(4,5)6;/h3,6H,7H2,1-2H3;2H,1H2;/b5-3?,6-4+;;
InChIKeyOPUGVFARHZERCE-OXFOGQRTSA-N
MW257.75 g/mol
LogP2.62
Rot. Bonds1

About copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene

copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene (PubChem CID 87979812) has the molecular formula C8H13CuF3N2 and a molecular weight of 257.75 g/mol. Its IUPAC name is copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Namecopper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene
PubChem CID87979812
Molecular FormulaC8H13CuF3N2
Molecular Weight257.75 g/mol
Exact Mass257.03
IUPAC Namecopper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene
SMILESC=CC(F)(F)F.[Cu].[H]/N=C(\C)C=C(C)N
InChIInChI=1S/C5H10N2.C3H3F3.Cu/c1-4(6)3-5(2)7;1-2-3(4,5)6;/h3,6H,7H2,1-2H3;2H,1H2;/b5-3?,6-4+;;
InChIKeyOPUGVFARHZERCE-OXFOGQRTSA-N
XLogP2.62
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide
CID 59010565
(E)-5,5-difluoro-4-iminohex-2-en-2-amine
CID 126727631
(Z)-1,1,5,5-tetrafluoro-4-iminopent-2-en-2-amine
CID 132239309
(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 137401028
(Z)-5,5,5-trifluoro-4-iminopent-2-en-2-amine
CID 138509620
(Z)-6,6,6-trifluoro-5-iminohex-3-en-3-amine
CID 138655022
[(Z)-4-amino-5,5,5-trifluoropent-3-en-2-ylidene]azanium
CID 145347303
5,5,5-Trifluoro-4-methyliminopent-2-en-2-amine
CID 148914080
[(5Z)-6-amino-3,3-difluoro-2-methylhepta-1,5-dien-4-ylidene]azanium
CID 156722210
5,5,5-Trifluoro-4-(methylidenehydrazinylidene)pent-2-en-2-amine
CID 162597453
(5,5,5-Trifluoro-4-iminopent-2-en-2-yl)azanium iodide
CID 163672340
(E)-4-[(Z)-4,4,5-trifluoropent-2-en-3-yl]iminopent-2-en-3-amine
CID 166907347

Frequently Asked Questions

What is the IUPAC name of copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene?
The IUPAC name of copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene (CID 87979812) is copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene?
The canonical SMILES for copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene is C=CC(F)(F)F.[Cu].[H]/N=C(\C)C=C(C)N.
What is the InChIKey of copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene?
The InChIKey is OPUGVFARHZERCE-OXFOGQRTSA-N. The full InChI is InChI=1S/C5H10N2.C3H3F3.Cu/c1-4(6)3-5(2)7;1-2-3(4,5)6;/h3,6H,7H2,1-2H3;2H,1H2;/b5-3?,6-4+;;.
What are the key properties of copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene?
copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene has a molecular weight of 257.75 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 87979812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).