tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane

C15H14F18O3Sn — CID 170928066

IUPACtris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane
SMILESC=CC[Sn](OC(C)(C(F)(F)F)C(F)(F)F)(OC(C)(C(F)(F)F)C(F)(F)F)OC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C4H3F6O.C3H5.Sn/c3*1-2(11,3(5,6)7)4(8,9)10;1-3-2;/h3*1H3;3H,1-2H2;/q3*-1;;+3
InChIKeyCTEBSXNXWFVRHN-UHFFFAOYSA-N
MW702.95 g/mol
LogP7.81
Rot. Bonds8

About tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane

tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane (PubChem CID 170928066) has the molecular formula C15H14F18O3Sn and a molecular weight of 702.95 g/mol. Its IUPAC name is tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane.

Molecular Properties

Compound Nametris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane
PubChem CID170928066
Molecular FormulaC15H14F18O3Sn
Molecular Weight702.95 g/mol
Exact Mass703.97
IUPAC Nametris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane
SMILESC=CC[Sn](OC(C)(C(F)(F)F)C(F)(F)F)(OC(C)(C(F)(F)F)C(F)(F)F)OC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/3C4H3F6O.C3H5.Sn/c3*1-2(11,3(5,6)7)4(8,9)10;1-3-2;/h3*1H3;3H,1-2H2;/q3*-1;;+3
InChIKeyCTEBSXNXWFVRHN-UHFFFAOYSA-N
XLogP7.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.95
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
8,8,8-trifluoro-7,7-dimethyloct-1-ene
CID 162603112
5-fluoro-5-iodo-4,4-dimethylhex-1-ene
CID 166107161
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
7-fluoro-7-methyloct-1-ene
CID 87159398
3,3,3-trifluoro-2-methyl-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 79795491
3,3-difluorobut-1-ene;propane
CID 143721745
methane;4,4,4-trifluorobut-1-ene
CID 157244358
azane;4,4,4-trifluorobut-1-ene
CID 166791740
prop-2-enyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
CID 10510526
prop-2-enyl 2-chloro-3,3,3-trifluoro-2-methylpropanoate
CID 87523010
(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite
CID 153281481

Frequently Asked Questions

What is the IUPAC name of tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane?
The IUPAC name of tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane (CID 170928066) is tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane.
What is the SMILES notation for tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane?
The canonical SMILES for tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane is C=CC[Sn](OC(C)(C(F)(F)F)C(F)(F)F)(OC(C)(C(F)(F)F)C(F)(F)F)OC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane?
The InChIKey is CTEBSXNXWFVRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H3F6O.C3H5.Sn/c3*1-2(11,3(5,6)7)4(8,9)10;1-3-2;/h3*1H3;3H,1-2H2;/q3*-1;;+3.
What are the key properties of tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane?
tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane has a molecular weight of 702.95 g/mol, XLogP of 7.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy]-prop-2-enylstannane is sourced from PubChem (CID 170928066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).