3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane

C14H26F3NO2Si — CID 54096657

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane
SMILESCO[Si](CCC(F)(F)F)(OC)N1CCCC2CCCCC21
InChIInChI=1S/C14H26F3NO2Si/c1-19-21(20-2,11-9-14(15,16)17)18-10-5-7-12-6-3-4-8-13(12)18/h12-13H,3-11H2,1-2H3
InChIKeyMXOPVIHVSGNVNN-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.83
Rot. Bonds5

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane (PubChem CID 54096657) has the molecular formula C14H26F3NO2Si and a molecular weight of 325.45 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane
PubChem CID54096657
Molecular FormulaC14H26F3NO2Si
Molecular Weight325.45 g/mol
Exact Mass325.17
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane
SMILESCO[Si](CCC(F)(F)F)(OC)N1CCCC2CCCCC21
InChIInChI=1S/C14H26F3NO2Si/c1-19-21(20-2,11-9-14(15,16)17)18-10-5-7-12-6-3-4-8-13(12)18/h12-13H,3-11H2,1-2H3
InChIKeyMXOPVIHVSGNVNN-UHFFFAOYSA-N
XLogP3.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-dimethoxysilane
CID 10959523
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane
CID 141083178
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(methoxymethyl)-(oxolan-2-yl)silane
CID 140844211
2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane
CID 130608809
cyclopentyl-diethoxy-(3,3,3-trifluoropropyl)silane
CID 22377678
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102728580
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62554565
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507157
1-(2,2,2-trifluoroethyl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681427

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane (CID 54096657) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane is CO[Si](CCC(F)(F)F)(OC)N1CCCC2CCCCC21.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane?
The InChIKey is MXOPVIHVSGNVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2Si/c1-19-21(20-2,11-9-14(15,16)17)18-10-5-7-12-6-3-4-8-13(12)18/h12-13H,3-11H2,1-2H3.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane?
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane has a molecular weight of 325.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-dimethoxy-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 54096657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).