CID 102057708

C3ClF3Zn- — CID 102057708

IUPAC—
SMILES[C]#CC(F)(F)F.[Cl-].[Zn]
InChIInChI=1S/C3F3.ClH.Zn/c1-2-3(4,5)6;;/h;1H;/p-1
InChIKeyNDXANSBGGFAEGG-UHFFFAOYSA-M
MW193.87 g/mol
LogP-1.86
Rot. Bonds

About CID 102057708

CID 102057708 (PubChem CID 102057708) has the molecular formula C3ClF3Zn- and a molecular weight of 193.87 g/mol.

Molecular Properties

Compound NameCID 102057708
PubChem CID102057708
Molecular FormulaC3ClF3Zn-
Molecular Weight193.87 g/mol
Exact Mass191.89
IUPAC Name—
SMILES[C]#CC(F)(F)F.[Cl-].[Zn]
InChIInChI=1S/C3F3.ClH.Zn/c1-2-3(4,5)6;;/h;1H;/p-1
InChIKeyNDXANSBGGFAEGG-UHFFFAOYSA-M
XLogP-1.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.87
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102057708?
The IUPAC name of CID 102057708 (CID 102057708) is not available.
What is the SMILES notation for CID 102057708?
The canonical SMILES for CID 102057708 is [C]#CC(F)(F)F.[Cl-].[Zn].
What is the InChIKey of CID 102057708?
The InChIKey is NDXANSBGGFAEGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3F3.ClH.Zn/c1-2-3(4,5)6;;/h;1H;/p-1.
What are the key properties of CID 102057708?
CID 102057708 has a molecular weight of 193.87 g/mol, XLogP of -1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102057708 is sourced from PubChem (CID 102057708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).