CID 170999876

C10H2CuF12O4-2 — CID 170999876

IUPAC—
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/2C5H2F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/p-2/b2*2-1-;
InChIKeyHFCSRRSYLKFYFX-PAMPIZDHSA-L
MW477.64 g/mol
LogP1.85
Rot. Bonds2

About CID 170999876

CID 170999876 (PubChem CID 170999876) has the molecular formula C10H2CuF12O4-2 and a molecular weight of 477.64 g/mol.

Molecular Properties

Compound NameCID 170999876
PubChem CID170999876
Molecular FormulaC10H2CuF12O4-2
Molecular Weight477.64 g/mol
Exact Mass476.91
IUPAC Name—
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/2C5H2F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/p-2/b2*2-1-;
InChIKeyHFCSRRSYLKFYFX-PAMPIZDHSA-L
XLogP1.85
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.64
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 170999876?
The IUPAC name of CID 170999876 (CID 170999876) is not available.
What is the SMILES notation for CID 170999876?
The canonical SMILES for CID 170999876 is O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Cu].
What is the InChIKey of CID 170999876?
The InChIKey is HFCSRRSYLKFYFX-PAMPIZDHSA-L. The full InChI is InChI=1S/2C5H2F6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1,12H;/p-2/b2*2-1-;.
What are the key properties of CID 170999876?
CID 170999876 has a molecular weight of 477.64 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170999876 is sourced from PubChem (CID 170999876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).