CID 173182289

C22H18F3Sn — CID 173182289

IUPAC—
SMILESCCC(c1ccc(F)cc1)C([Sn])(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H18F3.Sn/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17;/h3-14,21H,2H2,1H3;
InChIKeySCVMKQVAHPKEDZ-UHFFFAOYSA-N
MW458.09 g/mol
LogP5.71
Rot. Bonds5

About CID 173182289

CID 173182289 (PubChem CID 173182289) has the molecular formula C22H18F3Sn and a molecular weight of 458.09 g/mol.

Molecular Properties

Compound NameCID 173182289
PubChem CID173182289
Molecular FormulaC22H18F3Sn
Molecular Weight458.09 g/mol
Exact Mass459.04
IUPAC Name—
SMILESCCC(c1ccc(F)cc1)C([Sn])(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H18F3.Sn/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17;/h3-14,21H,2H2,1H3;
InChIKeySCVMKQVAHPKEDZ-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.09
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 173182289?
The IUPAC name of CID 173182289 (CID 173182289) is not available.
What is the SMILES notation for CID 173182289?
The canonical SMILES for CID 173182289 is CCC(c1ccc(F)cc1)C([Sn])(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of CID 173182289?
The InChIKey is SCVMKQVAHPKEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3.Sn/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17;/h3-14,21H,2H2,1H3;.
What are the key properties of CID 173182289?
CID 173182289 has a molecular weight of 458.09 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173182289 is sourced from PubChem (CID 173182289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).