dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C27H23F13Si — CID 168720153

IUPACdimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESC[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H23F13Si/c1-41(2,21(18-9-4-3-5-10-18)20-13-12-17-8-6-7-11-19(17)16-20)15-14-22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h3-13,16,21H,14-15H2,1-2H3
InChIKeyHPJOVGHYYPFRGA-UHFFFAOYSA-N
MW622.54 g/mol
LogP10.35
Rot. Bonds10

About dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 168720153) has the molecular formula C27H23F13Si and a molecular weight of 622.54 g/mol. Its IUPAC name is dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Namedimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID168720153
Molecular FormulaC27H23F13Si
Molecular Weight622.54 g/mol
Exact Mass622.14
IUPAC Namedimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESC[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H23F13Si/c1-41(2,21(18-9-4-3-5-10-18)20-13-12-17-8-6-7-11-19(17)16-20)15-14-22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h3-13,16,21H,14-15H2,1-2H3
InChIKeyHPJOVGHYYPFRGA-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.54
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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CID 6001
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Retene
CID 10222
9-Methylanthracene
CID 13068
1-Methylanthracene
CID 11884
2-Methylanthracene
CID 11936
2-Methylphenanthrene
CID 17321
3,6-Dimethylphenanthrene
CID 15304
9-Vinylanthracene
CID 17125
1,4-Dimethylphenanthrene
CID 62758
2-Benzylnaphthalene
CID 11948

Frequently Asked Questions

What is the IUPAC name of dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 168720153) is dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is HPJOVGHYYPFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F13Si/c1-41(2,21(18-9-4-3-5-10-18)20-13-12-17-8-6-7-11-19(17)16-20)15-14-22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h3-13,16,21H,14-15H2,1-2H3.
What are the key properties of dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 622.54 g/mol, XLogP of 10.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[naphthalen-2-yl(phenyl)methyl]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 168720153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).