[2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate

C14H19F3N2O3 — CID 175381143

IUPAC[2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
SMILESCC(CC(C)(C)OC(N)=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H19F3N2O3/c1-9(6-13(2,3)22-12(18)20)10-4-5-11(19-7-10)21-8-14(15,16)17/h4-5,7,9H,6,8H2,1-3H3,(H2,18,20)
InChIKeyRWHNSXQMDQLEFA-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.39
Rot. Bonds6

About [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate

[2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate (PubChem CID 175381143) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
PubChem CID175381143
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name[2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
SMILESCC(CC(C)(C)OC(N)=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C14H19F3N2O3/c1-9(6-13(2,3)22-12(18)20)10-4-5-11(19-7-10)21-8-14(15,16)17/h4-5,7,9H,6,8H2,1-3H3,(H2,18,20)
InChIKeyRWHNSXQMDQLEFA-UHFFFAOYSA-N
XLogP3.39
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
CID 174836579
1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethanamine
CID 58629100
2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrimidine-4-carboxamide
CID 141332123
6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 165153609
3-bromo-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propane-1,2-diol
CID 171860909
3-fluoro-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 174699847
N-[1-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridin-1-ium-3-yl]acetamide
CID 150791979
[3-hydroxy-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propyl] methanesulfonate
CID 123916869
(3R,4R)-4-hydroxy-3-(pyrrolidin-1-ylmethyl)-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butanamide
CID 122446875
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
S-[3,4-dihydroxy-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]butyl] ethanethioate
CID 171876811
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 46696945

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate?
The IUPAC name of [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate (CID 175381143) is [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate?
The canonical SMILES for [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate is CC(CC(C)(C)OC(N)=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate?
The InChIKey is RWHNSXQMDQLEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-9(6-13(2,3)22-12(18)20)10-4-5-11(19-7-10)21-8-14(15,16)17/h4-5,7,9H,6,8H2,1-3H3,(H2,18,20).
What are the key properties of [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate?
[2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate has a molecular weight of 320.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate is sourced from PubChem (CID 175381143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).