2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile

C8H11F3N2O — CID 60998407

IUPAC2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESN#CC(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h6-7,13H,1-2,4-5H2
InChIKeyMVBWYACYOJBKTL-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.07
Rot. Bonds3

About 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile

2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile (PubChem CID 60998407) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile.

Molecular Properties

Compound Name2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
PubChem CID60998407
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESN#CC(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h6-7,13H,1-2,4-5H2
InChIKeyMVBWYACYOJBKTL-UHFFFAOYSA-N
XLogP1.07
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The IUPAC name of 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile (CID 60998407) is 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile.
What is the SMILES notation for 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The canonical SMILES for 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile is N#CC(NCC(F)(F)F)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The InChIKey is MVBWYACYOJBKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)5-13-7(3-12)6-1-2-14-4-6/h6-7,13H,1-2,4-5H2.
What are the key properties of 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile has a molecular weight of 208.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile is sourced from PubChem (CID 60998407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).