(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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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).