[2-(4,4,4-trifluorobutyl)oxan-2-yl]silane

C9H17F3OSi — CID 123561163

IUPAC[2-(4,4,4-trifluorobutyl)oxan-2-yl]silane
SMILESFC(F)(F)CCCC1([SiH3])CCCCO1
InChIInChI=1S/C9H17F3OSi/c10-9(11,12)6-3-5-8(14)4-1-2-7-13-8/h1-7H2,14H3
InChIKeyBEJMHFSZFXMKOT-UHFFFAOYSA-N
MW226.31 g/mol
LogP1.98
Rot. Bonds3

About [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane

[2-(4,4,4-trifluorobutyl)oxan-2-yl]silane (PubChem CID 123561163) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(4,4,4-trifluorobutyl)oxan-2-yl]silane
PubChem CID123561163
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name[2-(4,4,4-trifluorobutyl)oxan-2-yl]silane
SMILESFC(F)(F)CCCC1([SiH3])CCCCO1
InChIInChI=1S/C9H17F3OSi/c10-9(11,12)6-3-5-8(14)4-1-2-7-13-8/h1-7H2,14H3
InChIKeyBEJMHFSZFXMKOT-UHFFFAOYSA-N
XLogP1.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 123561843
(2-Nonyloxan-2-yl)silane
CID 123144100
Triethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 69483329
Trimethyl-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 69887080
Trimethoxy-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 90185067
[2-(2,2-Difluoropropyl)oxan-2-yl]silane
CID 123356426
Ethenyl-methyl-[2-(4,4,4-trifluorobutyl)oxan-2-yl]silane
CID 123486901
[2-(3,3,3-Trifluoropropyl)oxan-2-yl]silane
CID 123635641
[2-(Difluoromethyl)oxan-2-yl]silane
CID 123680168
[2-(2,2-Difluoroethyl)oxan-2-yl]silane
CID 123708873
[2-(3-Fluoropropyl)oxan-2-yl]-dimethylsilane
CID 123882243
[2-(Trifluoromethyl)oxan-2-yl]silane
CID 123936024

Frequently Asked Questions

What is the IUPAC name of [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane?
The IUPAC name of [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane (CID 123561163) is [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane?
The canonical SMILES for [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane is FC(F)(F)CCCC1([SiH3])CCCCO1.
What is the InChIKey of [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane?
The InChIKey is BEJMHFSZFXMKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c10-9(11,12)6-3-5-8(14)4-1-2-7-13-8/h1-7H2,14H3.
What are the key properties of [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane?
[2-(4,4,4-trifluorobutyl)oxan-2-yl]silane has a molecular weight of 226.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4,4-trifluorobutyl)oxan-2-yl]silane is sourced from PubChem (CID 123561163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).