[2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane

C13H14F14OSi — CID 173398102

IUPAC[2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane
SMILESFC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1([SiH3])CCCCO1
InChIInChI=1S/C13H14F14OSi/c14-6(7(29)3-1-2-4-28-7)5-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)27/h6H,1-5H2,29H3
InChIKeyDDMUVALLRUHHSF-UHFFFAOYSA-N
MW480.31 g/mol
LogP4.72
Rot. Bonds7

About [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane

[2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane (PubChem CID 173398102) has the molecular formula C13H14F14OSi and a molecular weight of 480.31 g/mol. Its IUPAC name is [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane.

Molecular Properties

Compound Name[2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane
PubChem CID173398102
Molecular FormulaC13H14F14OSi
Molecular Weight480.31 g/mol
Exact Mass480.06
IUPAC Name[2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane
SMILESFC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1([SiH3])CCCCO1
InChIInChI=1S/C13H14F14OSi/c14-6(7(29)3-1-2-4-28-7)5-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)27/h6H,1-5H2,29H3
InChIKeyDDMUVALLRUHHSF-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.31
LogP ≤ 54.72
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

[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]silane
CID 175106196
(2-propan-2-yloxan-2-yl)silane
CID 123630971
CID 123910850
CID 123910850
1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane
CID 88505098
[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane
CID 174146457
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane
CID 59685379
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19-nonatriacontafluoro-21-methyldocosane
CID 58527537
7,13-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,4,10-trioxa-7,13-diazacyclooctadecane
CID 101033486
(2-chlorooxan-2-yl)silane
CID 123341870
2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 175012727
1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluoro-8,11-diiodooctadecane
CID 138396324
(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
CID 97290812

Frequently Asked Questions

What is the IUPAC name of [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane?
The IUPAC name of [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane (CID 173398102) is [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane.
What is the SMILES notation for [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane?
The canonical SMILES for [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane is FC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1([SiH3])CCCCO1.
What is the InChIKey of [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane?
The InChIKey is DDMUVALLRUHHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F14OSi/c14-6(7(29)3-1-2-4-28-7)5-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)27/h6H,1-5H2,29H3.
What are the key properties of [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane?
[2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane has a molecular weight of 480.31 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane is sourced from PubChem (CID 173398102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).