bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane

C16H6Cl2F12Sn — CID 12073575

IUPACbis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1[Sn](Cl)(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/2C8H3F6.2ClH.Sn/c2*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;/h2*1-3H;2*1H;/q;;;;+2/p-2
InChIKeyRDHPCGRURGNKCA-UHFFFAOYSA-L
MW615.82 g/mol
LogP6.80
Rot. Bonds2

About bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane

bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane (PubChem CID 12073575) has the molecular formula C16H6Cl2F12Sn and a molecular weight of 615.82 g/mol. Its IUPAC name is bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane.

Molecular Properties

Compound Namebis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane
PubChem CID12073575
Molecular FormulaC16H6Cl2F12Sn
Molecular Weight615.82 g/mol
Exact Mass615.87
IUPAC Namebis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane
SMILESFC(F)(F)c1cccc(C(F)(F)F)c1[Sn](Cl)(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/2C8H3F6.2ClH.Sn/c2*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;/h2*1-3H;2*1H;/q;;;;+2/p-2
InChIKeyRDHPCGRURGNKCA-UHFFFAOYSA-L
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane?
The IUPAC name of bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane (CID 12073575) is bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane.
What is the SMILES notation for bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane?
The canonical SMILES for bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane is FC(F)(F)c1cccc(C(F)(F)F)c1[Sn](Cl)(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane?
The InChIKey is RDHPCGRURGNKCA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H3F6.2ClH.Sn/c2*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;/h2*1-3H;2*1H;/q;;;;+2/p-2.
What are the key properties of bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane?
bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane has a molecular weight of 615.82 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane is sourced from PubChem (CID 12073575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).