tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate

C11H19F3N2O3 — CID 137358863

IUPACtert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1CCOC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-15-7-4-5-18-8(6-7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyRHTSOALAJJDCFZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.13
Rot. Bonds2

About tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate

tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate (PubChem CID 137358863) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate
PubChem CID137358863
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1CCOC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-15-7-4-5-18-8(6-7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyRHTSOALAJJDCFZ-UHFFFAOYSA-N
XLogP2.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl N-[[(1S,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]carbamate
CID 98052999
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
CID 150881139
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
CID 107236708
(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
CID 175446818
[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174659378
tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
CID 107237122
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate?
The IUPAC name of tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate (CID 137358863) is tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate is CC(C)(C)OC(=O)NNC1CCOC(C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate?
The InChIKey is RHTSOALAJJDCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-10(2,3)19-9(17)16-15-7-4-5-18-8(6-7)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate?
tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate has a molecular weight of 284.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(trifluoromethyl)oxan-4-yl]amino]carbamate is sourced from PubChem (CID 137358863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).