carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one

C7H11AuF3O2-2 — CID 137104623

IUPACcarbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one
SMILESC/C(O)=C\C(=O)C(F)(F)F.[Au].[CH3-].[CH3-]
InChIInChI=1S/C5H5F3O2.2CH3.Au/c1-3(9)2-4(10)5(6,7)8;;;/h2,9H,1H3;2*1H3;/q;2*-1;/b3-2+;;;
InChIKeyIDXLXDMQFLQQPV-HZBIHQSRSA-N
MW381.12 g/mol
LogP2.48
Rot. Bonds1

About carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one

carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one (PubChem CID 137104623) has the molecular formula C7H11AuF3O2-2 and a molecular weight of 381.12 g/mol. Its IUPAC name is carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Namecarbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one
PubChem CID137104623
Molecular FormulaC7H11AuF3O2-2
Molecular Weight381.12 g/mol
Exact Mass381.04
IUPAC Namecarbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one
SMILESC/C(O)=C\C(=O)C(F)(F)F.[Au].[CH3-].[CH3-]
InChIInChI=1S/C5H5F3O2.2CH3.Au/c1-3(9)2-4(10)5(6,7)8;;;/h2,9H,1H3;2*1H3;/q;2*-1;/b3-2+;;;
InChIKeyIDXLXDMQFLQQPV-HZBIHQSRSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
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;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one?
The IUPAC name of carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one (CID 137104623) is carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one.
What is the SMILES notation for carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one?
The canonical SMILES for carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one is C/C(O)=C\C(=O)C(F)(F)F.[Au].[CH3-].[CH3-].
What is the InChIKey of carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one?
The InChIKey is IDXLXDMQFLQQPV-HZBIHQSRSA-N. The full InChI is InChI=1S/C5H5F3O2.2CH3.Au/c1-3(9)2-4(10)5(6,7)8;;;/h2,9H,1H3;2*1H3;/q;2*-1;/b3-2+;;;.
What are the key properties of carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one?
carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one has a molecular weight of 381.12 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;gold;(E)-1,1,1-trifluoro-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 137104623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).