CID 88508457

C12H17FGa — CID 88508457

IUPAC—
SMILESCC[Ga]Cc1ccccc1CCCF
InChIInChI=1S/C10H12F.C2H5.Ga/c1-9-5-2-3-6-10(9)7-4-8-11;1-2;/h2-3,5-6H,1,4,7-8H2;1H2,2H3;
InChIKeyGHBQJGZRAAGGJJ-UHFFFAOYSA-N
MW249.99 g/mol
LogP3.23
Rot. Bonds6

About CID 88508457

CID 88508457 (PubChem CID 88508457) has the molecular formula C12H17FGa and a molecular weight of 249.99 g/mol.

Molecular Properties

Compound NameCID 88508457
PubChem CID88508457
Molecular FormulaC12H17FGa
Molecular Weight249.99 g/mol
Exact Mass249.06
IUPAC Name—
SMILESCC[Ga]Cc1ccccc1CCCF
InChIInChI=1S/C10H12F.C2H5.Ga/c1-9-5-2-3-6-10(9)7-4-8-11;1-2;/h2-3,5-6H,1,4,7-8H2;1H2,2H3;
InChIKeyGHBQJGZRAAGGJJ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.99
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 88508457?
The IUPAC name of CID 88508457 (CID 88508457) is not available.
What is the SMILES notation for CID 88508457?
The canonical SMILES for CID 88508457 is CC[Ga]Cc1ccccc1CCCF.
What is the InChIKey of CID 88508457?
The InChIKey is GHBQJGZRAAGGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F.C2H5.Ga/c1-9-5-2-3-6-10(9)7-4-8-11;1-2;/h2-3,5-6H,1,4,7-8H2;1H2,2H3;.
What are the key properties of CID 88508457?
CID 88508457 has a molecular weight of 249.99 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88508457 is sourced from PubChem (CID 88508457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).