[1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane

C20H24F2OSSi — CID 102468062

IUPAC[1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(C(F)(F)Sc2ccccc2)CCCc2ccccc21
InChIInChI=1S/C20H24F2OSSi/c1-25(2,3)23-19(15-9-11-16-10-7-8-14-18(16)19)20(21,22)24-17-12-5-4-6-13-17/h4-8,10,12-14H,9,11,15H2,1-3H3
InChIKeyXNOSCPKADQEDFK-UHFFFAOYSA-N
MW378.56 g/mol
LogP6.45
Rot. Bonds5

About [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane

[1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane (PubChem CID 102468062) has the molecular formula C20H24F2OSSi and a molecular weight of 378.56 g/mol. Its IUPAC name is [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane
PubChem CID102468062
Molecular FormulaC20H24F2OSSi
Molecular Weight378.56 g/mol
Exact Mass378.13
IUPAC Name[1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1(C(F)(F)Sc2ccccc2)CCCc2ccccc21
InChIInChI=1S/C20H24F2OSSi/c1-25(2,3)23-19(15-9-11-16-10-7-8-14-18(16)19)20(21,22)24-17-12-5-4-6-13-17/h4-8,10,12-14H,9,11,15H2,1-3H3
InChIKeyXNOSCPKADQEDFK-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane?
The IUPAC name of [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane (CID 102468062) is [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane is C[Si](C)(C)OC1(C(F)(F)Sc2ccccc2)CCCc2ccccc21.
What is the InChIKey of [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane?
The InChIKey is XNOSCPKADQEDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2OSSi/c1-25(2,3)23-19(15-9-11-16-10-7-8-14-18(16)19)20(21,22)24-17-12-5-4-6-13-17/h4-8,10,12-14H,9,11,15H2,1-3H3.
What are the key properties of [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane?
[1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane has a molecular weight of 378.56 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[difluoro(phenylsulfanyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 102468062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).