tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate

C12H20F3NO3 — CID 54772419

IUPACtert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1COC(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-11(2,3)19-10(17)16-7-5-4-6-9(16)8-18-12(13,14)15/h9H,4-8H2,1-3H3
InChIKeyNMCNOWHMXSZCNT-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.31
Rot. Bonds2

About tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate

tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate (PubChem CID 54772419) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate
PubChem CID54772419
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Nametert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1COC(F)(F)F
InChIInChI=1S/C12H20F3NO3/c1-11(2,3)19-10(17)16-7-5-4-6-9(16)8-18-12(13,14)15/h9H,4-8H2,1-3H3
InChIKeyNMCNOWHMXSZCNT-UHFFFAOYSA-N
XLogP3.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(trifluoromethylsulfonyloxymethyl)piperidine-1-carboxylate
CID 98057049
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl 2-(1,1-difluoroethylsulfonyloxymethyl)piperidine-1-carboxylate
CID 170987946
tert-butyl (2S)-2-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134177579
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl (2R)-2-(2-chloroethyl)piperidine-1-carboxylate
CID 129372327
tert-butyl 2-(cyclohexyloxymethyl)pyrrolidine-1-carboxylate
CID 22001447
tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
CID 143813318

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate (CID 54772419) is tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1COC(F)(F)F.
What is the InChIKey of tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate?
The InChIKey is NMCNOWHMXSZCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-11(2,3)19-10(17)16-7-5-4-6-9(16)8-18-12(13,14)15/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate?
tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 54772419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).