(2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C13H20F3NO2 — CID 98890956

IUPAC(2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@H]1C(=O)N(CC(F)(F)F)[C@H](C)C1CC1
InChIInChI=1S/C13H20F3NO2/c1-8(10-3-4-10)17(7-13(14,15)16)12(18)11-5-6-19-9(11)2/h8-11H,3-7H2,1-2H3/t8-,9+,11-/m1/s1
InChIKeyHYSZMRLRLVKZBS-WCABBAIRSA-N
MW279.30 g/mol
LogP2.60
Rot. Bonds4

About (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

(2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 98890956) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID98890956
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name(2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@H]1C(=O)N(CC(F)(F)F)[C@H](C)C1CC1
InChIInChI=1S/C13H20F3NO2/c1-8(10-3-4-10)17(7-13(14,15)16)12(18)11-5-6-19-9(11)2/h8-11H,3-7H2,1-2H3/t8-,9+,11-/m1/s1
InChIKeyHYSZMRLRLVKZBS-WCABBAIRSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 98890956) is (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is C[C@@H]1OCC[C@H]1C(=O)N(CC(F)(F)F)[C@H](C)C1CC1.
What is the InChIKey of (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is HYSZMRLRLVKZBS-WCABBAIRSA-N. The full InChI is InChI=1S/C13H20F3NO2/c1-8(10-3-4-10)17(7-13(14,15)16)12(18)11-5-6-19-9(11)2/h8-11H,3-7H2,1-2H3/t8-,9+,11-/m1/s1.
What are the key properties of (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
(2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(1R)-1-cyclopropylethyl]-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 98890956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).