tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate

C11H17F3N2O3 — CID 86722600

IUPACtert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-9(2,3)19-8(18)16-10(4-5-10)7(17)15-6-11(12,13)14/h4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyABXRQDPIENQYJE-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.72
Rot. Bonds3

About tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate

tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate (PubChem CID 86722600) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate
PubChem CID86722600
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Nametert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-9(2,3)19-8(18)16-10(4-5-10)7(17)15-6-11(12,13)14/h4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyABXRQDPIENQYJE-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(1-hydroxyethenyl)cyclopropyl]carbamate
CID 70266871
tert-butyl N-[5-amino-1-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroinden-1-yl]carbamate
CID 177368559
tert-butyl N-(1-carbamothioylcyclopropyl)carbamate
CID 58431174
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
CID 177032527
tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
CID 134435769
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
tert-butyl N-(1-propanoylcyclopropyl)carbamate;1-[1-(chloroamino)cyclopropyl]propan-1-one
CID 158678586
tert-butyl N-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]carbamate
CID 142403499
tert-butyl N-[1-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]cyclobutyl]carbamate
CID 66620541
tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 164896897
tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
CID 71851484
methyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylate
CID 59614777

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate (CID 86722600) is tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate?
The InChIKey is ABXRQDPIENQYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-9(2,3)19-8(18)16-10(4-5-10)7(17)15-6-11(12,13)14/h4-6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate?
tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate has a molecular weight of 282.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate is sourced from PubChem (CID 86722600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).