carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

C7H10AuF3O2 — CID 5491940

IUPACcarbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(\[O-])C(F)(F)F.[Au+3].[CH3-].[CH3-]
InChIInChI=1S/C5H5F3O2.2CH3.Au/c1-3(9)2-4(10)5(6,7)8;;;/h2,10H,1H3;2*1H3;/q;2*-1;+3/p-1/b4-2-;;;
InChIKeyBHCGHWWGHSVXTA-GCOIFOBGSA-M
MW380.12 g/mol
LogP1.28
Rot. Bonds1

About carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate

carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate (PubChem CID 5491940) has the molecular formula C7H10AuF3O2 and a molecular weight of 380.12 g/mol. Its IUPAC name is carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate.

Molecular Properties

Compound Namecarbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
PubChem CID5491940
Molecular FormulaC7H10AuF3O2
Molecular Weight380.12 g/mol
Exact Mass380.03
IUPAC Namecarbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
SMILESCC(=O)/C=C(\[O-])C(F)(F)F.[Au+3].[CH3-].[CH3-]
InChIInChI=1S/C5H5F3O2.2CH3.Au/c1-3(9)2-4(10)5(6,7)8;;;/h2,10H,1H3;2*1H3;/q;2*-1;+3/p-1/b4-2-;;;
InChIKeyBHCGHWWGHSVXTA-GCOIFOBGSA-M
XLogP1.28
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The IUPAC name of carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate (CID 5491940) is carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate.
What is the SMILES notation for carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The canonical SMILES for carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate is CC(=O)/C=C(\[O-])C(F)(F)F.[Au+3].[CH3-].[CH3-].
What is the InChIKey of carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
The InChIKey is BHCGHWWGHSVXTA-GCOIFOBGSA-M. The full InChI is InChI=1S/C5H5F3O2.2CH3.Au/c1-3(9)2-4(10)5(6,7)8;;;/h2,10H,1H3;2*1H3;/q;2*-1;+3/p-1/b4-2-;;;.
What are the key properties of carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate?
carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate has a molecular weight of 380.12 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;gold(3+);(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate is sourced from PubChem (CID 5491940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).