carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide

C20H19CuF8N2-3 — CID 59227542

IUPACcarbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide
SMILESCC(CC(C)[N-]c1c(F)cccc1C(F)(F)F)[N-]c1c(F)cccc1C(F)(F)F.[CH3-].[Cu]
InChIInChI=1S/C19H16F8N2.CH3.Cu/c1-10(28-16-12(18(22,23)24)5-3-7-14(16)20)9-11(2)29-17-13(19(25,26)27)6-4-8-15(17)21;;/h3-8,10-11H,9H2,1-2H3;1H3;/q-2;-1;
InChIKeyRQCAPYHFZCUWRA-UHFFFAOYSA-N
MW502.92 g/mol
LogP8.33
Rot. Bonds6

About carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide

carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide (PubChem CID 59227542) has the molecular formula C20H19CuF8N2-3 and a molecular weight of 502.92 g/mol. Its IUPAC name is carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide.

Molecular Properties

Compound Namecarbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide
PubChem CID59227542
Molecular FormulaC20H19CuF8N2-3
Molecular Weight502.92 g/mol
Exact Mass502.07
IUPAC Namecarbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide
SMILESCC(CC(C)[N-]c1c(F)cccc1C(F)(F)F)[N-]c1c(F)cccc1C(F)(F)F.[CH3-].[Cu]
InChIInChI=1S/C19H16F8N2.CH3.Cu/c1-10(28-16-12(18(22,23)24)5-3-7-14(16)20)9-11(2)29-17-13(19(25,26)27)6-4-8-15(17)21;;/h3-8,10-11H,9H2,1-2H3;1H3;/q-2;-1;
InChIKeyRQCAPYHFZCUWRA-UHFFFAOYSA-N
XLogP8.33
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide?
The IUPAC name of carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide (CID 59227542) is carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide.
What is the SMILES notation for carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide?
The canonical SMILES for carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide is CC(CC(C)[N-]c1c(F)cccc1C(F)(F)F)[N-]c1c(F)cccc1C(F)(F)F.[CH3-].[Cu].
What is the InChIKey of carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide?
The InChIKey is RQCAPYHFZCUWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F8N2.CH3.Cu/c1-10(28-16-12(18(22,23)24)5-3-7-14(16)20)9-11(2)29-17-13(19(25,26)27)6-4-8-15(17)21;;/h3-8,10-11H,9H2,1-2H3;1H3;/q-2;-1;.
What are the key properties of carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide?
carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide has a molecular weight of 502.92 g/mol, XLogP of 8.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;copper;[2-fluoro-6-(trifluoromethyl)phenyl]-[4-[2-fluoro-6-(trifluoromethyl)phenyl]azanidylpentan-2-yl]azanide is sourced from PubChem (CID 59227542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).