(4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane

C13H17FOSi — CID 174079347

IUPAC(4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC12CC1Cc1cc(F)ccc12
InChIInChI=1S/C13H17FOSi/c1-16(2,3)15-13-8-10(13)6-9-7-11(14)4-5-12(9)13/h4-5,7,10H,6,8H2,1-3H3
InChIKeyQPSXAAQNTSBFNK-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.45
Rot. Bonds2

About (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane

(4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane (PubChem CID 174079347) has the molecular formula C13H17FOSi and a molecular weight of 236.36 g/mol. Its IUPAC name is (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane
PubChem CID174079347
Molecular FormulaC13H17FOSi
Molecular Weight236.36 g/mol
Exact Mass236.10
IUPAC Name(4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)OC12CC1Cc1cc(F)ccc12
InChIInChI=1S/C13H17FOSi/c1-16(2,3)15-13-8-10(13)6-9-7-11(14)4-5-12(9)13/h4-5,7,10H,6,8H2,1-3H3
InChIKeyQPSXAAQNTSBFNK-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.45
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

Trimethyl-[9-(trifluoromethyl)fluoren-9-yl]oxysilane
CID 11472732
(1R,1aR,6R,6aS)-6-(4-fluorophenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
CID 134997413
tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 141379842
[(1aR,6aR)-6a-methyl-1,6-dihydrocyclopropa[a]inden-1a-yl]oxy-trimethylsilane
CID 134861022
(1R,1aR,6R,6aS)-6-(2-methylphenyl)-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
CID 134998218
(1R,1aR,6R,6aS)-6-phenyl-1-trimethylsilyl-1a,6a-dihydro-1H-cyclopropa[a]inden-6-ol
CID 134998459
Trimethyl-[(3-phenyl-3-tricyclo[3.2.1.02,4]oct-6-enyl)oxy]silane
CID 164674293
1-(4-Ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069416
4-Fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol
CID 83069650
1-Cyclohexyl-4-fluoro-2,3-dihydroinden-1-ol
CID 83069723
1-(2-Ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83069971
4-Fluoro-1-trimethylsilyloxy-2,3-dihydroindene-1-carbonitrile
CID 83070038

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane?
The IUPAC name of (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane (CID 174079347) is (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane.
What is the SMILES notation for (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane?
The canonical SMILES for (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane is C[Si](C)(C)OC12CC1Cc1cc(F)ccc12.
What is the InChIKey of (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane?
The InChIKey is QPSXAAQNTSBFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FOSi/c1-16(2,3)15-13-8-10(13)6-9-7-11(14)4-5-12(9)13/h4-5,7,10H,6,8H2,1-3H3.
What are the key properties of (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane?
(4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane has a molecular weight of 236.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-6,6a-dihydro-1H-cyclopropa[a]inden-1a-yl)oxy-trimethylsilane is sourced from PubChem (CID 174079347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).