2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile

C11H17F3N2O — CID 79928096

IUPAC2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile
SMILESCC1(C)CC(C#N)(NCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C11H17F3N2O/c1-8(2)5-10(6-15,9(3,4)17-8)16-7-11(12,13)14/h16H,5,7H2,1-4H3
InChIKeyVSGTYUGQGOLHME-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.38
Rot. Bonds2

About 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile

2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile (PubChem CID 79928096) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile
PubChem CID79928096
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile
SMILESCC1(C)CC(C#N)(NCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C11H17F3N2O/c1-8(2)5-10(6-15,9(3,4)17-8)16-7-11(12,13)14/h16H,5,7H2,1-4H3
InChIKeyVSGTYUGQGOLHME-UHFFFAOYSA-N
XLogP2.38
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile?
The IUPAC name of 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile (CID 79928096) is 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile?
The canonical SMILES for 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile is CC1(C)CC(C#N)(NCC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile?
The InChIKey is VSGTYUGQGOLHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8(2)5-10(6-15,9(3,4)17-8)16-7-11(12,13)14/h16H,5,7H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile?
2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile is sourced from PubChem (CID 79928096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).