carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide

C7H9CuF6N2-3 — CID 59010565

IUPACcarbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide
SMILES[CH3-].[CH3-].[Cu].[H]/N=C(/C=C(\[NH-])C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6N2.2CH3.Cu/c6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h1,12-13H;2*1H3;/q3*-1;/b2-1-,13-3-;;;
InChIKeyWOCDRGLBDLJKBW-NYNFGWKJSA-N
MW298.70 g/mol
LogP3.96
Rot. Bonds1

About carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide

carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide (PubChem CID 59010565) has the molecular formula C7H9CuF6N2-3 and a molecular weight of 298.70 g/mol. Its IUPAC name is carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide.

Molecular Properties

Compound Namecarbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide
PubChem CID59010565
Molecular FormulaC7H9CuF6N2-3
Molecular Weight298.70 g/mol
Exact Mass298.00
IUPAC Namecarbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide
SMILES[CH3-].[CH3-].[Cu].[H]/N=C(/C=C(\[NH-])C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6N2.2CH3.Cu/c6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h1,12-13H;2*1H3;/q3*-1;/b2-1-,13-3-;;;
InChIKeyWOCDRGLBDLJKBW-NYNFGWKJSA-N
XLogP3.96
TPSA47.65 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide?
The IUPAC name of carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide (CID 59010565) is carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide.
What is the SMILES notation for carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide?
The canonical SMILES for carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide is [CH3-].[CH3-].[Cu].[H]/N=C(/C=C(\[NH-])C(F)(F)F)C(F)(F)F.
What is the InChIKey of carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide?
The InChIKey is WOCDRGLBDLJKBW-NYNFGWKJSA-N. The full InChI is InChI=1S/C5H3F6N2.2CH3.Cu/c6-4(7,8)2(12)1-3(13)5(9,10)11;;;/h1,12-13H;2*1H3;/q3*-1;/b2-1-,13-3-;;;.
What are the key properties of carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide?
carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide has a molecular weight of 298.70 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide is sourced from PubChem (CID 59010565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).