[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

C15H11F21OSi — CID 175106196

IUPAC[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
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1([SiH3])CCCCO1
InChIInChI=1S/C15H11F21OSi/c16-6(17,5(38)3-1-2-4-37-5)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h1-4H2,38H3
InChIKeyRSMPLJVPXNHOCB-UHFFFAOYSA-N
MW634.30 g/mol
LogP6.53
Rot. Bonds9

About [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

[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 (PubChem CID 175106196) has the molecular formula C15H11F21OSi and a molecular weight of 634.30 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID175106196
Molecular FormulaC15H11F21OSi
Molecular Weight634.30 g/mol
Exact Mass634.02
IUPAC Name[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
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1([SiH3])CCCCO1
InChIInChI=1S/C15H11F21OSi/c16-6(17,5(38)3-1-2-4-37-5)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h1-4H2,38H3
InChIKeyRSMPLJVPXNHOCB-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.30
LogP ≤ 56.53
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]-methylsilane
CID 174146457
2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 175012727
[2-(1,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctyl)oxan-2-yl]silane
CID 173398102
(2-chlorooxan-2-yl)silane
CID 123341870
hydron;(2-silyloxan-2-yl)silane
CID 174620661
(2-silyloxan-2-yl)phosphane
CID 123679001
N-[3-methyl-3-(2-silyloxan-2-yl)pent-4-en-2-ylidene]hydroxylamine
CID 175505464
(2-bromooxan-2-yl)silane
CID 174600222
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
CID 173426758
CID 173426758
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1([SiH3])CCCCO1.
What is the InChIKey of [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?
The InChIKey is RSMPLJVPXNHOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F21OSi/c16-6(17,5(38)3-1-2-4-37-5)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h1-4H2,38H3.
What are the key properties of [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?
[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 has a molecular weight of 634.30 g/mol, XLogP of 6.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 175106196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).