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

C11H12F6Sn — CID 14523014

IUPAC[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
SMILESC[Sn](C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H3F6.3CH3.Sn/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;;/h2-4H;3*1H3;
InChIKeyNVPVEEOKTSYTDO-UHFFFAOYSA-N
MW376.92 g/mol
LogP4.27
Rot. Bonds1

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

[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane (PubChem CID 14523014) has the molecular formula C11H12F6Sn and a molecular weight of 376.92 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
PubChem CID14523014
Molecular FormulaC11H12F6Sn
Molecular Weight376.92 g/mol
Exact Mass377.99
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
SMILESC[Sn](C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H3F6.3CH3.Sn/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;;/h2-4H;3*1H3;
InChIKeyNVPVEEOKTSYTDO-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.92
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
CID 171930237
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CID 18328539
bis[3,5-bis(trifluoromethyl)phenyl]-methylborane
CID 142545370
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
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
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1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
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CID 174890856

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane (CID 14523014) is [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane is C[Sn](C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane?
The InChIKey is NVPVEEOKTSYTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6.3CH3.Sn/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;;;/h2-4H;3*1H3;.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane?
[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane has a molecular weight of 376.92 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-trimethylstannane is sourced from PubChem (CID 14523014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).