methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate

C10H11F3N2O3 — CID 171787356

IUPACmethyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3/c1-17-9(16)15-5-7-2-3-14-8(4-7)18-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyRTMAIXOUIMGKEL-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.88
Rot. Bonds4

About methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate

methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate (PubChem CID 171787356) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
PubChem CID171787356
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Namemethyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3/c1-17-9(16)15-5-7-2-3-14-8(4-7)18-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyRTMAIXOUIMGKEL-UHFFFAOYSA-N
XLogP1.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342
tert-butyl N-[2-[[N'-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885332
1-[(1R)-2-fluoro-1-(4-methoxyphenyl)ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 171787411
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
CID 120641796
3,4-dimethoxy-N-[2-oxo-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylamino]ethyl]benzamide
CID 55694149
methyl 3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylcarbamoylamino]benzoate
CID 47040078

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate (CID 171787356) is methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate is COC(=O)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate?
The InChIKey is RTMAIXOUIMGKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-17-9(16)15-5-7-2-3-14-8(4-7)18-6-10(11,12)13/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate?
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate has a molecular weight of 264.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate is sourced from PubChem (CID 171787356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).