tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane

C15H29F3Sn — CID 125130358

IUPACtritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane
SMILESC=C(C(F)(F)F)[Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/3C4H9.C3H2F3.Sn/c3*1-4(2)3;1-2-3(4,5)6;/h3*1-3H3;1H2;
InChIKeyIXBUKPXDWLBVHC-UHFFFAOYSA-N
MW385.10 g/mol
LogP6.49
Rot. Bonds1

About tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane

tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane (PubChem CID 125130358) has the molecular formula C15H29F3Sn and a molecular weight of 385.10 g/mol. Its IUPAC name is tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane.

Molecular Properties

Compound Nametritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane
PubChem CID125130358
Molecular FormulaC15H29F3Sn
Molecular Weight385.10 g/mol
Exact Mass386.12
IUPAC Nametritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane
SMILESC=C(C(F)(F)F)[Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/3C4H9.C3H2F3.Sn/c3*1-4(2)3;1-2-3(4,5)6;/h3*1-3H3;1H2;
InChIKeyIXBUKPXDWLBVHC-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3,3,3-trifluoroprop-1-en-2-ol
CID 142267098
2,4,4-trifluoropent-1-ene
CID 118215285
1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)but-3-en-2-ol
CID 162534784
1,1,1,3,3-pentafluorobutan-2-one
CID 21483509
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
3,4,4,4-tetrafluoro-2,3-bis(trifluoromethyl)but-1-ene
CID 134361168
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
(E)-1,1,1,2,3,4-hexafluoro-4-methylpent-2-ene
CID 163535527
5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene
CID 137451352
ethene;1,1,1-trifluoroethane
CID 175131333
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947

Frequently Asked Questions

What is the IUPAC name of tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane?
The IUPAC name of tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane (CID 125130358) is tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane.
What is the SMILES notation for tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane?
The canonical SMILES for tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane is C=C(C(F)(F)F)[Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane?
The InChIKey is IXBUKPXDWLBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H2F3.Sn/c3*1-4(2)3;1-2-3(4,5)6;/h3*1-3H3;1H2;.
What are the key properties of tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane?
tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane has a molecular weight of 385.10 g/mol, XLogP of 6.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl(3,3,3-trifluoroprop-1-en-2-yl)stannane is sourced from PubChem (CID 125130358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).