(1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane

C14H18F2OSi — CID 122399013

IUPAC(1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC12c3ccccc3CCC1C2(F)F
InChIInChI=1S/C14H18F2OSi/c1-18(2,3)17-13-11-7-5-4-6-10(11)8-9-12(13)14(13,15)16/h4-7,12H,8-9H2,1-3H3
InChIKeyJBLOPKWJTSUXGY-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.94
Rot. Bonds2

About (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane

(1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane (PubChem CID 122399013) has the molecular formula C14H18F2OSi and a molecular weight of 268.38 g/mol. Its IUPAC name is (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane
PubChem CID122399013
Molecular FormulaC14H18F2OSi
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name(1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC12c3ccccc3CCC1C2(F)F
InChIInChI=1S/C14H18F2OSi/c1-18(2,3)17-13-11-7-5-4-6-10(11)8-9-12(13)14(13,15)16/h4-7,12H,8-9H2,1-3H3
InChIKeyJBLOPKWJTSUXGY-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.94
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

1,1-Difluoro-2-(trimethylsiloxy)-2-phenylcyclopropane
CID 53307532
trimethyl-[[1-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-yl]oxy]silane
CID 73409042
1-Tert-butylperoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 154712002
Trimethyl-[[3-[4-(trifluoromethyl)phenyl]-3-tricyclo[3.2.1.02,4]octanyl]oxy]silane
CID 164674292
(2,2-Difluoro-1-naphthalen-2-ylethenoxy)-triethylsilane
CID 177850121
7b-(difluoromethoxy)-1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalene
CID 11334076
(1,1,1,3,3,3-Hexafluoro-2-naphthalen-1-ylpropan-2-yl)oxy-trimethylsilane
CID 12179442
(2,2-Difluoro-1-naphthalen-1-ylethenoxy)-trimethylsilane
CID 85820160
Trimethyl-[1,1,1-trifluoro-2-(2-methylphenyl)propan-2-yl]oxysilane
CID 85902458
[9,10-Bis(trifluoromethyl)-10-trimethylsilyloxyanthracen-9-yl]oxy-trimethylsilane
CID 89762509
(2,2-Difluoro-1-naphthalen-2-ylethenoxy)-trimethylsilane
CID 175380939
Trimethyl-(1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-yl)oxysilane
CID 176900685

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane?
The IUPAC name of (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane (CID 122399013) is (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane.
What is the SMILES notation for (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane?
The canonical SMILES for (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane is C[Si](C)(C)OC12c3ccccc3CCC1C2(F)F.
What is the InChIKey of (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane?
The InChIKey is JBLOPKWJTSUXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2OSi/c1-18(2,3)17-13-11-7-5-4-6-10(11)8-9-12(13)14(13,15)16/h4-7,12H,8-9H2,1-3H3.
What are the key properties of (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane?
(1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane has a molecular weight of 268.38 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2,3-dihydro-1aH-cyclopropa[a]naphthalen-7b-yl)oxy-trimethylsilane is sourced from PubChem (CID 122399013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).