[1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane

C32H17F51OSi — CID 173160303

IUPAC[1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane
SMILESFC(F)C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(O[SiH3])(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F
InChIInChI=1S/C32H17F51OSi/c33-2(15(48,49)21(60,61)27(72,73)28(74,75)22(62,63)16(50,51)6(37)3(34)9(40)41)1-14(84-85,12(46)19(56,57)25(68,69)31(80,81)29(76,77)23(64,65)17(52,53)7(38)4(35)10(42)43)13(47)20(58,59)26(70,71)32(82,83)30(78,79)24(66,67)18(54,55)8(39)5(36)11(44)45/h2-13H,1H2,85H3
InChIKeyALDSASOMTFNXEN-UHFFFAOYSA-N
MW1414.47 g/mol
LogP15.69
Rot. Bonds32

About [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane

[1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane (PubChem CID 173160303) has the molecular formula C32H17F51OSi and a molecular weight of 1414.47 g/mol. Its IUPAC name is [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane.

Molecular Properties

Compound Name[1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane
PubChem CID173160303
Molecular FormulaC32H17F51OSi
Molecular Weight1414.47 g/mol
Exact Mass1414.02
IUPAC Name[1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane
SMILESFC(F)C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(O[SiH3])(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F
InChIInChI=1S/C32H17F51OSi/c33-2(15(48,49)21(60,61)27(72,73)28(74,75)22(62,63)16(50,51)6(37)3(34)9(40)41)1-14(84-85,12(46)19(56,57)25(68,69)31(80,81)29(76,77)23(64,65)17(52,53)7(38)4(35)10(42)43)13(47)20(58,59)26(70,71)32(82,83)30(78,79)24(66,67)18(54,55)8(39)5(36)11(44)45/h2-13H,1H2,85H3
InChIKeyALDSASOMTFNXEN-UHFFFAOYSA-N
XLogP15.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001414.47
LogP ≤ 515.69
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'}

Analyze [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane?
The IUPAC name of [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane (CID 173160303) is [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane.
What is the SMILES notation for [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane?
The canonical SMILES for [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane is FC(F)C(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(O[SiH3])(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.
What is the InChIKey of [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane?
The InChIKey is ALDSASOMTFNXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17F51OSi/c33-2(15(48,49)21(60,61)27(72,73)28(74,75)22(62,63)16(50,51)6(37)3(34)9(40)41)1-14(84-85,12(46)19(56,57)25(68,69)31(80,81)29(76,77)23(64,65)17(52,53)7(38)4(35)10(42)43)13(47)20(58,59)26(70,71)32(82,83)30(78,79)24(66,67)18(54,55)8(39)5(36)11(44)45/h2-13H,1H2,85H3.
What are the key properties of [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane?
[1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane has a molecular weight of 1414.47 g/mol, XLogP of 15.69, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,10,13,14,14,15,15,16,16,17,17,18,18,19,19,20,21,22,22-tetratriacontafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)docosan-11-yl]oxysilane is sourced from PubChem (CID 173160303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).