CID 16688583

C22H12F9O2Sn — CID 16688583

IUPAC—
SMILESO=C(O[Sn](c1ccccc1)c1ccccc1)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H3F9O2.2C6H5.Sn/c11-8(12,13)3-1-4(9(14,15)16)6(7(20)21)5(2-3)10(17,18)19;2*1-2-4-6-5-3-1;/h1-2H,(H,20,21);2*1-5H;/q;;;+1/p-1
InChIKeyCSWOVJDTQHVTLQ-UHFFFAOYSA-M
MW598.03 g/mol
LogP5.71
Rot. Bonds4

About CID 16688583

CID 16688583 (PubChem CID 16688583) has the molecular formula C22H12F9O2Sn and a molecular weight of 598.03 g/mol.

Molecular Properties

Compound NameCID 16688583
PubChem CID16688583
Molecular FormulaC22H12F9O2Sn
Molecular Weight598.03 g/mol
Exact Mass598.97
IUPAC Name—
SMILESO=C(O[Sn](c1ccccc1)c1ccccc1)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H3F9O2.2C6H5.Sn/c11-8(12,13)3-1-4(9(14,15)16)6(7(20)21)5(2-3)10(17,18)19;2*1-2-4-6-5-3-1;/h1-2H,(H,20,21);2*1-5H;/q;;;+1/p-1
InChIKeyCSWOVJDTQHVTLQ-UHFFFAOYSA-M
XLogP5.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.03
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 16688583?
The IUPAC name of CID 16688583 (CID 16688583) is not available.
What is the SMILES notation for CID 16688583?
The canonical SMILES for CID 16688583 is O=C(O[Sn](c1ccccc1)c1ccccc1)c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of CID 16688583?
The InChIKey is CSWOVJDTQHVTLQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H3F9O2.2C6H5.Sn/c11-8(12,13)3-1-4(9(14,15)16)6(7(20)21)5(2-3)10(17,18)19;2*1-2-4-6-5-3-1;/h1-2H,(H,20,21);2*1-5H;/q;;;+1/p-1.
What are the key properties of CID 16688583?
CID 16688583 has a molecular weight of 598.03 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16688583 is sourced from PubChem (CID 16688583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).