CID 19068667

C22H8F38NSi — CID 19068667

IUPAC—
SMILESCCCC(N[Si])(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)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)F
InChIInChI=1S/C22H8F38NSi/c1-2-3-4(61-62,5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)57)6(25,26)8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(58,59)60/h61H,2-3H2,1H3
InChIKeyWQKNJVFVPGKCNX-UHFFFAOYSA-N
MW1036.32 g/mol
LogP12.49
Rot. Bonds19

About CID 19068667

CID 19068667 (PubChem CID 19068667) has the molecular formula C22H8F38NSi and a molecular weight of 1036.32 g/mol.

Molecular Properties

Compound NameCID 19068667
PubChem CID19068667
Molecular FormulaC22H8F38NSi
Molecular Weight1036.32 g/mol
Exact Mass1035.98
IUPAC Name—
SMILESCCCC(N[Si])(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)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)F
InChIInChI=1S/C22H8F38NSi/c1-2-3-4(61-62,5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)57)6(25,26)8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(58,59)60/h61H,2-3H2,1H3
InChIKeyWQKNJVFVPGKCNX-UHFFFAOYSA-N
XLogP12.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.32
LogP ≤ 512.49
H-Bond Donors ≤ 51
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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-octatriacontafluoro-10-propyl-N-silylnonadecan-10-amine
CID 123387003
1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
CID 150244186
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octan-1-amine
CID 90695405
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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951

Frequently Asked Questions

What is the IUPAC name of CID 19068667?
The IUPAC name of CID 19068667 (CID 19068667) is not available.
What is the SMILES notation for CID 19068667?
The canonical SMILES for CID 19068667 is CCCC(N[Si])(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)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)F.
What is the InChIKey of CID 19068667?
The InChIKey is WQKNJVFVPGKCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H8F38NSi/c1-2-3-4(61-62,5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)57)6(25,26)8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(58,59)60/h61H,2-3H2,1H3.
What are the key properties of CID 19068667?
CID 19068667 has a molecular weight of 1036.32 g/mol, XLogP of 12.49, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19068667 is sourced from PubChem (CID 19068667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).