[2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane

C14H19F3OSi — CID 123199936

IUPAC[2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane
SMILESFC(F)(F)C(CC1([SiH3])CCCCO1)c1ccccc1
InChIInChI=1S/C14H19F3OSi/c15-14(16,17)12(11-6-2-1-3-7-11)10-13(19)8-4-5-9-18-13/h1-3,6-7,12H,4-5,8-10H2,19H3
InChIKeyISJWRNAHULMVSU-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.98
Rot. Bonds3

About [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane

[2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane (PubChem CID 123199936) has the molecular formula C14H19F3OSi and a molecular weight of 288.38 g/mol. Its IUPAC name is [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane
PubChem CID123199936
Molecular FormulaC14H19F3OSi
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name[2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane
SMILESFC(F)(F)C(CC1([SiH3])CCCCO1)c1ccccc1
InChIInChI=1S/C14H19F3OSi/c15-14(16,17)12(11-6-2-1-3-7-11)10-13(19)8-4-5-9-18-13/h1-3,6-7,12H,4-5,8-10H2,19H3
InChIKeyISJWRNAHULMVSU-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane?
The IUPAC name of [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane (CID 123199936) is [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane?
The canonical SMILES for [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane is FC(F)(F)C(CC1([SiH3])CCCCO1)c1ccccc1.
What is the InChIKey of [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane?
The InChIKey is ISJWRNAHULMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3OSi/c15-14(16,17)12(11-6-2-1-3-7-11)10-13(19)8-4-5-9-18-13/h1-3,6-7,12H,4-5,8-10H2,19H3.
What are the key properties of [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane?
[2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane has a molecular weight of 288.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,3-trifluoro-2-phenylpropyl)oxan-2-yl]silane is sourced from PubChem (CID 123199936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).