tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate

C18H23F3N2O5 — CID 164867144

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1COc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C18H23F3N2O5/c1-16(2,3)27-14(24)23(15(25)28-17(4,5)6)11-9-26-13-10(11)7-8-12(22-13)18(19,20)21/h7-8,11H,9H2,1-6H3
InChIKeyHPRWAQJXEATNNX-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.71
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate (PubChem CID 164867144) has the molecular formula C18H23F3N2O5 and a molecular weight of 404.39 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
PubChem CID164867144
Molecular FormulaC18H23F3N2O5
Molecular Weight404.39 g/mol
Exact Mass404.16
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1COc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C18H23F3N2O5/c1-16(2,3)27-14(24)23(15(25)28-17(4,5)6)11-9-26-13-10(11)7-8-12(22-13)18(19,20)21/h7-8,11H,9H2,1-6H3
InChIKeyHPRWAQJXEATNNX-UHFFFAOYSA-N
XLogP4.71
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 145713793
CID 145713793
CID 497372
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CID 139052321
CID 139052321
CID 17862277
CID 17862277
CID 21345173
CID 21345173
CID 21345174
CID 21345174
CID 22261399
CID 22261399
CID 22261413
CID 22261413
CID 22262221
CID 22262221
CID 57519081
CID 57519081
CID 57519082
CID 57519082
CID 58873328
CID 58873328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate (CID 164867144) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1COc2nc(C(F)(F)F)ccc21.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?
The InChIKey is HPRWAQJXEATNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O5/c1-16(2,3)27-14(24)23(15(25)28-17(4,5)6)11-9-26-13-10(11)7-8-12(22-13)18(19,20)21/h7-8,11H,9H2,1-6H3.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate has a molecular weight of 404.39 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]carbamate is sourced from PubChem (CID 164867144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).