tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate

C16H27F3O4Si — CID 59734884

IUPACtert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
SMILESCO[Si](C)(OC)C1CC2CC1C(C(=O)OC(C)(C)C)(C(F)(F)F)C2
InChIInChI=1S/C16H27F3O4Si/c1-14(2,3)23-13(20)15(16(17,18)19)9-10-7-11(15)12(8-10)24(6,21-4)22-5/h10-12H,7-9H2,1-6H3
InChIKeyDDEGOJWVUKGHKV-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.04
Rot. Bonds4

About tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate

tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59734884) has the molecular formula C16H27F3O4Si and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID59734884
Molecular FormulaC16H27F3O4Si
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC Nametert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate
SMILESCO[Si](C)(OC)C1CC2CC1C(C(=O)OC(C)(C)C)(C(F)(F)F)C2
InChIInChI=1S/C16H27F3O4Si/c1-14(2,3)23-13(20)15(16(17,18)19)9-10-7-11(15)12(8-10)24(6,21-4)22-5/h10-12H,7-9H2,1-6H3
InChIKeyDDEGOJWVUKGHKV-UHFFFAOYSA-N
XLogP4.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;triethoxy(methyl)silane
CID 160615125
tert-butyl 6-[[5,6-dimethyl-2-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate
CID 91197110
tert-butyl 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58818750
tert-butyl 2-fluorobicyclo[2.2.1]heptane-2-carboxylate
CID 21053483
tert-butyl 2-(trifluoromethyl)bicyclo[2.2.1]hept-1(6)-ene-2-carboxylate
CID 139994317
ditert-butyl 1-chlorocyclopropane-1,2-dicarboxylate
CID 23158970
tert-butyl 6-[[dimethoxy-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]heptanyl]silyl]oxy-methoxy-methylsilyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 21014921
2-fluorobutan-2-yl adamantane-1-carboxylate
CID 158975726
(5-hydroxy-2-adamantyl) 2,2-difluoropropanoate
CID 58108063
ditert-butyl aziridine-2,2-dicarboxylate
CID 102235849
tert-butyl 2,2-dimethyl-1,3-thiazolidine-5-carboxylate
CID 174516766
tert-butyl 3-(difluoromethyl)azetidine-3-carboxylate
CID 167725355

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate (CID 59734884) is tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate is CO[Si](C)(OC)C1CC2CC1C(C(=O)OC(C)(C)C)(C(F)(F)F)C2.
What is the InChIKey of tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is DDEGOJWVUKGHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O4Si/c1-14(2,3)23-13(20)15(16(17,18)19)9-10-7-11(15)12(8-10)24(6,21-4)22-5/h10-12H,7-9H2,1-6H3.
What are the key properties of tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate?
tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[dimethoxy(methyl)silyl]-2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59734884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).