tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate

C13H20F3NO3 — CID 160714334

IUPACtert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate
SMILESCN(CC(F)(F)F)C(=O)C1(CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H20F3NO3/c1-11(2,3)20-9(18)7-12(5-6-12)10(19)17(4)8-13(14,15)16/h5-8H2,1-4H3
InChIKeyRSGUHJYVCUFUHG-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.52
Rot. Bonds4

About tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate

tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate (PubChem CID 160714334) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate
PubChem CID160714334
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Nametert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate
SMILESCN(CC(F)(F)F)C(=O)C1(CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H20F3NO3/c1-11(2,3)20-9(18)7-12(5-6-12)10(19)17(4)8-13(14,15)16/h5-8H2,1-4H3
InChIKeyRSGUHJYVCUFUHG-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate?
The IUPAC name of tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate (CID 160714334) is tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate.
What is the SMILES notation for tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate?
The canonical SMILES for tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate is CN(CC(F)(F)F)C(=O)C1(CC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate?
The InChIKey is RSGUHJYVCUFUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-11(2,3)20-9(18)7-12(5-6-12)10(19)17(4)8-13(14,15)16/h5-8H2,1-4H3.
What are the key properties of tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate?
tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate has a molecular weight of 295.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropyl]acetate is sourced from PubChem (CID 160714334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).