CID 87457276

C8H3AlF6 — CID 87457276

IUPAC—
SMILESFC(F)(F)c1cc([Al])cc(C(F)(F)F)c1
InChIInChI=1S/C8H3F6.Al/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h2-4H;
InChIKeyKVDADTKSEAMMFO-UHFFFAOYSA-N
MW240.08 g/mol
LogP2.52
Rot. Bonds

About CID 87457276

CID 87457276 (PubChem CID 87457276) has the molecular formula C8H3AlF6 and a molecular weight of 240.08 g/mol.

Molecular Properties

Compound NameCID 87457276
PubChem CID87457276
Molecular FormulaC8H3AlF6
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name—
SMILESFC(F)(F)c1cc([Al])cc(C(F)(F)F)c1
InChIInChI=1S/C8H3F6.Al/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h2-4H;
InChIKeyKVDADTKSEAMMFO-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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lithium [3,5-bis(trifluoromethyl)phenyl]azanide
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Frequently Asked Questions

What is the IUPAC name of CID 87457276?
The IUPAC name of CID 87457276 (CID 87457276) is not available.
What is the SMILES notation for CID 87457276?
The canonical SMILES for CID 87457276 is FC(F)(F)c1cc([Al])cc(C(F)(F)F)c1.
What is the InChIKey of CID 87457276?
The InChIKey is KVDADTKSEAMMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6.Al/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;/h2-4H;.
What are the key properties of CID 87457276?
CID 87457276 has a molecular weight of 240.08 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87457276 is sourced from PubChem (CID 87457276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).