CID 175374253

C6H5AlF6NO2 — CID 175374253

IUPAC—
SMILESFC(F)(F)[Al]C(F)(F)F.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.2CF3.Al/c6-3-1-2-4(7)5-3;2*2-1(3)4;/h1-2H2,(H,5,6,7);;;
InChIKeyQNAFONHJDOSKSD-UHFFFAOYSA-N
MW264.08 g/mol
LogP1.15
Rot. Bonds

About CID 175374253

CID 175374253 (PubChem CID 175374253) has the molecular formula C6H5AlF6NO2 and a molecular weight of 264.08 g/mol.

Molecular Properties

Compound NameCID 175374253
PubChem CID175374253
Molecular FormulaC6H5AlF6NO2
Molecular Weight264.08 g/mol
Exact Mass264.00
IUPAC Name—
SMILESFC(F)(F)[Al]C(F)(F)F.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.2CF3.Al/c6-3-1-2-4(7)5-3;2*2-1(3)4;/h1-2H2,(H,5,6,7);;;
InChIKeyQNAFONHJDOSKSD-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175374253?
The IUPAC name of CID 175374253 (CID 175374253) is not available.
What is the SMILES notation for CID 175374253?
The canonical SMILES for CID 175374253 is FC(F)(F)[Al]C(F)(F)F.O=C1CCC(=O)N1.
What is the InChIKey of CID 175374253?
The InChIKey is QNAFONHJDOSKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.2CF3.Al/c6-3-1-2-4(7)5-3;2*2-1(3)4;/h1-2H2,(H,5,6,7);;;.
What are the key properties of CID 175374253?
CID 175374253 has a molecular weight of 264.08 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175374253 is sourced from PubChem (CID 175374253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).