CID 22495113

C32H14F51OSi — CID 22495113

IUPAC—
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[Si])(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/C32H14F51OSi/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
InChIKeySLFUYCZYNIQJRM-UHFFFAOYSA-N
MW1411.45 g/mol
LogP16.49
Rot. Bonds32

About CID 22495113

CID 22495113 (PubChem CID 22495113) has the molecular formula C32H14F51OSi and a molecular weight of 1411.45 g/mol.

Molecular Properties

Compound NameCID 22495113
PubChem CID22495113
Molecular FormulaC32H14F51OSi
Molecular Weight1411.45 g/mol
Exact Mass1411.00
IUPAC Name—
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[Si])(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/C32H14F51OSi/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
InChIKeySLFUYCZYNIQJRM-UHFFFAOYSA-N
XLogP16.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001411.45
LogP ≤ 516.49
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

[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
[1,1,1,8,8,8-Hexafluoro-4-(3,3,3-trifluoropropyl)octan-4-yl]oxysilane
CID 173207844
(3,4,4,5,5,6,6,7,7,8,9,10,10-Tridecafluoro-2-methyldecan-2-yl)oxysilane
CID 173221085
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-Heptadecafluoro-2-methyldodecan-2-yl)oxysilane
CID 173228702
(4,5,5,6,6,7,7,8,8,9,10,11,11-Tridecafluoro-2-methylundecan-2-yl)oxysilane
CID 173249365
(3,3,4,4,5,5,6,6,7,7,8,8,9-Tridecafluoro-2-methyldecan-2-yl)oxysilane
CID 173346529
[4-(1,2,2,3,3,4,4-Heptafluorocyclobutyl)-2-methylbutan-2-yl]oxysilane
CID 173394999
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluoro-2-methyldodecan-2-yl)oxysilane
CID 175007606
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methyldecan-2-yl)oxysilane
CID 175012765
(4,5,5,6,6,7,8,9,9-Nonafluoro-2,3-dimethylnonan-2-yl)oxysilane
CID 175203408
(5,6,7,8,9,10,13-Heptafluoro-2,3-dimethyltridecan-2-yl)oxysilane
CID 175211415
CID 166065066
CID 166065066

Frequently Asked Questions

What is the IUPAC name of CID 22495113?
The IUPAC name of CID 22495113 (CID 22495113) is not available.
What is the SMILES notation for CID 22495113?
The canonical SMILES for CID 22495113 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[Si])(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 CID 22495113?
The InChIKey is SLFUYCZYNIQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H14F51OSi/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.
What are the key properties of CID 22495113?
CID 22495113 has a molecular weight of 1411.45 g/mol, XLogP of 16.49, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22495113 is sourced from PubChem (CID 22495113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).