(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane

C5H3F9OSi — CID 173148599

IUPAC(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane
SMILESFC1(F)OC(F)([SiH3])C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H3F9OSi/c6-1(7)2(8,9)4(12,13)15-5(14,16)3(1,10)11/h16H3
InChIKeyDOUUOBYYSBRZAP-UHFFFAOYSA-N
MW278.15 g/mol
LogP1.50
Rot. Bonds

About (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane

(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane (PubChem CID 173148599) has the molecular formula C5H3F9OSi and a molecular weight of 278.15 g/mol. Its IUPAC name is (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane.

Molecular Properties

Compound Name(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane
PubChem CID173148599
Molecular FormulaC5H3F9OSi
Molecular Weight278.15 g/mol
Exact Mass277.98
IUPAC Name(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane
SMILESFC1(F)OC(F)([SiH3])C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H3F9OSi/c6-1(7)2(8,9)4(12,13)15-5(14,16)3(1,10)11/h16H3
InChIKeyDOUUOBYYSBRZAP-UHFFFAOYSA-N
XLogP1.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22497786
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
CID 12596606
2,2,3-trifluoro-3-methyloxirane
CID 22289961
(1R,9R,14S,22S)-1,3,3,4,4,6,6,7,7,9,10,10,11,11,12,12,13,13,14,16,16,17,17,19,19,20,20,22,23,23,24,24,25,25,26,26-hexatriacontafluoro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 14892283
(1S,15S)-1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,13,13,15,16,16,17,17,18,18,19,19-hexacosafluoro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecane
CID 14921076
methane;2,2,3,3-tetrafluorooxirane
CID 174885785
2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
CID 19026789
2,2,3,4,4,5-hexafluoro-3,5-dimethyloxolane
CID 118020327
fluoroethane;fluoromethane;2,2,3,3,4,5,5-heptafluoro-4-(fluoromethyl)oxolane
CID 159579542
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluorooxecane
CID 75360843

Frequently Asked Questions

What is the IUPAC name of (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane?
The IUPAC name of (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane (CID 173148599) is (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane.
What is the SMILES notation for (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane?
The canonical SMILES for (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane is FC1(F)OC(F)([SiH3])C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane?
The InChIKey is DOUUOBYYSBRZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9OSi/c6-1(7)2(8,9)4(12,13)15-5(14,16)3(1,10)11/h16H3.
What are the key properties of (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane?
(2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane has a molecular weight of 278.15 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3,4,4,5,5,6,6-nonafluorooxan-2-yl)silane is sourced from PubChem (CID 173148599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).