(2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane

C9H17F3OSi — CID 173315418

IUPAC(2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane
SMILESCC1OCCCC1[SiH2]CCC(F)(F)F
InChIInChI=1S/C9H17F3OSi/c1-7-8(3-2-5-13-7)14-6-4-9(10,11)12/h7-8H,2-6,14H2,1H3
InChIKeyGMZCECGUJDRNHY-UHFFFAOYSA-N
MW226.31 g/mol
LogP2.51
Rot. Bonds3

About (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane

(2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane (PubChem CID 173315418) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name(2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane
PubChem CID173315418
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Name(2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane
SMILESCC1OCCCC1[SiH2]CCC(F)(F)F
InChIInChI=1S/C9H17F3OSi/c1-7-8(3-2-5-13-7)14-6-4-9(10,11)12/h7-8H,2-6,14H2,1H3
InChIKeyGMZCECGUJDRNHY-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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 (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane?
The IUPAC name of (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane (CID 173315418) is (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane is CC1OCCCC1[SiH2]CCC(F)(F)F.
What is the InChIKey of (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane?
The InChIKey is GMZCECGUJDRNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c1-7-8(3-2-5-13-7)14-6-4-9(10,11)12/h7-8H,2-6,14H2,1H3.
What are the key properties of (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane?
(2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane has a molecular weight of 226.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 173315418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).