tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate

C12H15F3N2O3 — CID 65142733

IUPACtert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-8-4-5-9(16-6-8)19-7-12(13,14)15/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyWWUHFARVHSRIHF-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate

tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate (PubChem CID 65142733) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
PubChem CID65142733
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Nametert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-8-4-5-9(16-6-8)19-7-12(13,14)15/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyWWUHFARVHSRIHF-UHFFFAOYSA-N
XLogP3.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
3-amino-2-methoxy-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 106111469
6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 136539684
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanesulfonamide
CID 61063335
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-2-sulfonamide
CID 62998761
4-ethyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 136520401

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate (CID 65142733) is tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
The InChIKey is WWUHFARVHSRIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-8-4-5-9(16-6-8)19-7-12(13,14)15/h4-6H,7H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate?
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate has a molecular weight of 292.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate is sourced from PubChem (CID 65142733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).