[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane

C12H17F7OSi — CID 14914236

IUPAC[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CCCCC1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F7OSi/c1-21(2,3)20-9-7-5-4-6-8(9)10(13,11(14,15)16)12(17,18)19/h7-8H,4-6H2,1-3H3
InChIKeyCQEUGHAGGXEOFS-UHFFFAOYSA-N
MW338.34 g/mol
LogP5.35
Rot. Bonds3

About [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane

[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 14914236) has the molecular formula C12H17F7OSi and a molecular weight of 338.34 g/mol. Its IUPAC name is [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane
PubChem CID14914236
Molecular FormulaC12H17F7OSi
Molecular Weight338.34 g/mol
Exact Mass338.09
IUPAC Name[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=CCCCC1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F7OSi/c1-21(2,3)20-9-7-5-4-6-8(9)10(13,11(14,15)16)12(17,18)19/h7-8H,4-6H2,1-3H3
InChIKeyCQEUGHAGGXEOFS-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane (CID 14914236) is [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane is C[Si](C)(C)OC1=CCCCC1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is CQEUGHAGGXEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F7OSi/c1-21(2,3)20-9-7-5-4-6-8(9)10(13,11(14,15)16)12(17,18)19/h7-8H,4-6H2,1-3H3.
What are the key properties of [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane?
[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 338.34 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 14914236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).