CID 175423349

C6H6F3Zn- — CID 175423349

IUPAC—
SMILESFC(F)(F)C12C[C-](C1)C2.[Zn]
InChIInChI=1S/C6H6F3.Zn/c7-6(8,9)5-1-4(2-5)3-5;/h1-3H2;/q-1;
InChIKeyVCQNVHATZPGGGF-UHFFFAOYSA-N
MW200.50 g/mol
LogP2.30
Rot. Bonds

About CID 175423349

CID 175423349 (PubChem CID 175423349) has the molecular formula C6H6F3Zn- and a molecular weight of 200.50 g/mol.

Molecular Properties

Compound NameCID 175423349
PubChem CID175423349
Molecular FormulaC6H6F3Zn-
Molecular Weight200.50 g/mol
Exact Mass198.97
IUPAC Name—
SMILESFC(F)(F)C12C[C-](C1)C2.[Zn]
InChIInChI=1S/C6H6F3.Zn/c7-6(8,9)5-1-4(2-5)3-5;/h1-3H2;/q-1;
InChIKeyVCQNVHATZPGGGF-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175423349?
The IUPAC name of CID 175423349 (CID 175423349) is not available.
What is the SMILES notation for CID 175423349?
The canonical SMILES for CID 175423349 is FC(F)(F)C12C[C-](C1)C2.[Zn].
What is the InChIKey of CID 175423349?
The InChIKey is VCQNVHATZPGGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3.Zn/c7-6(8,9)5-1-4(2-5)3-5;/h1-3H2;/q-1;.
What are the key properties of CID 175423349?
CID 175423349 has a molecular weight of 200.50 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175423349 is sourced from PubChem (CID 175423349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).