chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane

C18H20ClF3Sn — CID 12697455

IUPACchloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane
SMILESCC(C)(C[Sn](C)(Cl)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C10H13.C7H4F3.CH3.ClH.Sn/c1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)6-4-2-1-3-5-6;;;/h4-8H,1H2,2-3H3;2-5H;1H3;1H;/q;;;;+1/p-1
InChIKeyWCCSHPSJUGOSAD-UHFFFAOYSA-M
MW447.52 g/mol
LogP5.70
Rot. Bonds4

About chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane

chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane (PubChem CID 12697455) has the molecular formula C18H20ClF3Sn and a molecular weight of 447.52 g/mol. Its IUPAC name is chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane.

Molecular Properties

Compound Namechloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane
PubChem CID12697455
Molecular FormulaC18H20ClF3Sn
Molecular Weight447.52 g/mol
Exact Mass448.02
IUPAC Namechloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane
SMILESCC(C)(C[Sn](C)(Cl)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C10H13.C7H4F3.CH3.ClH.Sn/c1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)6-4-2-1-3-5-6;;;/h4-8H,1H2,2-3H3;2-5H;1H3;1H;/q;;;;+1/p-1
InChIKeyWCCSHPSJUGOSAD-UHFFFAOYSA-M
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane?
The IUPAC name of chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane (CID 12697455) is chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane.
What is the SMILES notation for chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane?
The canonical SMILES for chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane is CC(C)(C[Sn](C)(Cl)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane?
The InChIKey is WCCSHPSJUGOSAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.C7H4F3.CH3.ClH.Sn/c1-10(2,3)9-7-5-4-6-8-9;8-7(9,10)6-4-2-1-3-5-6;;;/h4-8H,1H2,2-3H3;2-5H;1H3;1H;/q;;;;+1/p-1.
What are the key properties of chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane?
chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane has a molecular weight of 447.52 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane is sourced from PubChem (CID 12697455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).