(3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane

C15H18F2OSi — CID 58151894

IUPAC(3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane
SMILESCCOc1cc2c(F)c(F)ccc2cc1[Si](C)(C)C
InChIInChI=1S/C15H18F2OSi/c1-5-18-13-9-11-10(6-7-12(16)15(11)17)8-14(13)19(2,3)4/h6-9H,5H2,1-4H3
InChIKeyKKAPUHPUQUPUEQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.06
Rot. Bonds3

About (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane

(3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane (PubChem CID 58151894) has the molecular formula C15H18F2OSi and a molecular weight of 280.39 g/mol. Its IUPAC name is (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane
PubChem CID58151894
Molecular FormulaC15H18F2OSi
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name(3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane
SMILESCCOc1cc2c(F)c(F)ccc2cc1[Si](C)(C)C
InChIInChI=1S/C15H18F2OSi/c1-5-18-13-9-11-10(6-7-12(16)15(11)17)8-14(13)19(2,3)4/h6-9H,5H2,1-4H3
InChIKeyKKAPUHPUQUPUEQ-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
6-[2-(4-ethoxy-2,3,5,6-tetrafluorophenyl)ethynyl]-1,2-difluoronaphthalene
CID 139853793
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
7,8-difluoro-3-methylisoquinoline
CID 169499830
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
(4-ethoxy-2-fluorophenyl) 5,6-difluoronaphthalene-2-carboxylate
CID 139854348
6-[2-[4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139857142
6-ethoxy-2,3-difluorobenzonitrile
CID 119017576
2-ethoxy-3,4-difluoroaniline
CID 22118017
2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139863148
4-bromo-6-ethoxy-7-fluoroquinoline
CID 114764168
7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139863236

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane?
The IUPAC name of (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane (CID 58151894) is (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane.
What is the SMILES notation for (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane?
The canonical SMILES for (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane is CCOc1cc2c(F)c(F)ccc2cc1[Si](C)(C)C.
What is the InChIKey of (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane?
The InChIKey is KKAPUHPUQUPUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2OSi/c1-5-18-13-9-11-10(6-7-12(16)15(11)17)8-14(13)19(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane?
(3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane has a molecular weight of 280.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-5,6-difluoronaphthalen-2-yl)-trimethylsilane is sourced from PubChem (CID 58151894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).