methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane

C9H17F3OSi — CID 174279340

IUPACmethyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane
SMILESC[SiH2]C1OCCCC1CCC(F)(F)F
InChIInChI=1S/C9H17F3OSi/c1-14-8-7(3-2-6-13-8)4-5-9(10,11)12/h7-8H,2-6,14H2,1H3
InChIKeyJCMZHMKNDADQDT-UHFFFAOYSA-N
MW226.31 g/mol
LogP2.30
Rot. Bonds3

About methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane

methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane (PubChem CID 174279340) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane.

Molecular Properties

Compound Namemethyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane
PubChem CID174279340
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Namemethyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane
SMILESC[SiH2]C1OCCCC1CCC(F)(F)F
InChIInChI=1S/C9H17F3OSi/c1-14-8-7(3-2-6-13-8)4-5-9(10,11)12/h7-8H,2-6,14H2,1H3
InChIKeyJCMZHMKNDADQDT-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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

3-[Cyclohexyl(difluoro)methoxy]propyl-trimethylsilane
CID 176426574
[2-(1,1,1-Trifluoropropan-2-yl)oxan-2-yl]silane
CID 123319762
[3-(3,3,3-Trifluoropropyl)oxan-2-yl]silane
CID 123955574
(2-Propan-2-yloxan-2-yl)-(3,3,3-trifluoropropyl)silane
CID 173718210
[2-(3,3,3-Trifluoro-2-methylpropyl)oxan-2-yl]silane
CID 174648766
2-Methyl-4-(2,3,3-trifluoropropyl)oxasilinane
CID 175346794
(3-Ethyloxan-2-yl)-methylsilane
CID 174663989
[3-(2-Methylpropyl)oxan-2-yl]silane
CID 174988010

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane?
The IUPAC name of methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane (CID 174279340) is methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane.
What is the SMILES notation for methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane?
The canonical SMILES for methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane is C[SiH2]C1OCCCC1CCC(F)(F)F.
What is the InChIKey of methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane?
The InChIKey is JCMZHMKNDADQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c1-14-8-7(3-2-6-13-8)4-5-9(10,11)12/h7-8H,2-6,14H2,1H3.
What are the key properties of methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane?
methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane has a molecular weight of 226.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(3,3,3-trifluoropropyl)oxan-2-yl]silane is sourced from PubChem (CID 174279340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).