bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane

C18H12F12Sn — CID 171930237

IUPACbis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
SMILESC[Sn](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/2C8H3F6.2CH3.Sn/c2*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;/h2*2-4H;2*1H3;
InChIKeyLIVDEZUKOPEFSZ-UHFFFAOYSA-N
MW574.98 g/mol
LogP6.58
Rot. Bonds2

About bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane

bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane (PubChem CID 171930237) has the molecular formula C18H12F12Sn and a molecular weight of 574.98 g/mol. Its IUPAC name is bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane.

Molecular Properties

Compound Namebis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
PubChem CID171930237
Molecular FormulaC18H12F12Sn
Molecular Weight574.98 g/mol
Exact Mass575.98
IUPAC Namebis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
SMILESC[Sn](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/2C8H3F6.2CH3.Sn/c2*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;/h2*2-4H;2*1H3;
InChIKeyLIVDEZUKOPEFSZ-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.98
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
CID 14523014
2,4,6-tris(trifluoromethyl)pyridine
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1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
bis[3,5-bis(trifluoromethyl)phenyl]-methylborane
CID 142545370
CID 87457276
CID 87457276
CID 10890130
CID 10890130
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1-tert-butyl-3-isocyano-5-(trifluoromethyl)benzene
CID 140777401
1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene
CID 139378807
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301

Frequently Asked Questions

What is the IUPAC name of bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane?
The IUPAC name of bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane (CID 171930237) is bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane.
What is the SMILES notation for bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane?
The canonical SMILES for bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane is C[Sn](C)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane?
The InChIKey is LIVDEZUKOPEFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H3F6.2CH3.Sn/c2*9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;/h2*2-4H;2*1H3;.
What are the key properties of bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane?
bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane has a molecular weight of 574.98 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane is sourced from PubChem (CID 171930237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).