CID 173182286

C22H9F12Sn — CID 173182286

IUPAC—
SMILESCCC(c1c(F)c(F)cc(F)c1F)C([Sn])(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C22H9F12.Sn/c1-2-6(14-17(29)7(23)3-8(24)18(14)30)13(15-19(31)9(25)4-10(26)20(15)32)16-21(33)11(27)5-12(28)22(16)34;/h3-6H,2H2,1H3;
InChIKeyAAOYTCLGXOXATA-UHFFFAOYSA-N
MW620.00 g/mol
LogP6.96
Rot. Bonds5

About CID 173182286

CID 173182286 (PubChem CID 173182286) has the molecular formula C22H9F12Sn and a molecular weight of 620.00 g/mol.

Molecular Properties

Compound NameCID 173182286
PubChem CID173182286
Molecular FormulaC22H9F12Sn
Molecular Weight620.00 g/mol
Exact Mass620.95
IUPAC Name—
SMILESCCC(c1c(F)c(F)cc(F)c1F)C([Sn])(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C22H9F12.Sn/c1-2-6(14-17(29)7(23)3-8(24)18(14)30)13(15-19(31)9(25)4-10(26)20(15)32)16-21(33)11(27)5-12(28)22(16)34;/h3-6H,2H2,1H3;
InChIKeyAAOYTCLGXOXATA-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.00
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173182286?
The IUPAC name of CID 173182286 (CID 173182286) is not available.
What is the SMILES notation for CID 173182286?
The canonical SMILES for CID 173182286 is CCC(c1c(F)c(F)cc(F)c1F)C([Sn])(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of CID 173182286?
The InChIKey is AAOYTCLGXOXATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H9F12.Sn/c1-2-6(14-17(29)7(23)3-8(24)18(14)30)13(15-19(31)9(25)4-10(26)20(15)32)16-21(33)11(27)5-12(28)22(16)34;/h3-6H,2H2,1H3;.
What are the key properties of CID 173182286?
CID 173182286 has a molecular weight of 620.00 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173182286 is sourced from PubChem (CID 173182286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).