2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile

C8H11F3N2O — CID 82719065

IUPAC2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile
SMILESCC1OCCC1(C#N)NCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-6-7(4-12,2-3-14-6)13-5-8(9,10)11/h6,13H,2-3,5H2,1H3
InChIKeyDDRLPVJJBHIJBO-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.21
Rot. Bonds2

About 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile

2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile (PubChem CID 82719065) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile
PubChem CID82719065
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile
SMILESCC1OCCC1(C#N)NCC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-6-7(4-12,2-3-14-6)13-5-8(9,10)11/h6,13H,2-3,5H2,1H3
InChIKeyDDRLPVJJBHIJBO-UHFFFAOYSA-N
XLogP1.21
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile (CID 82719065) is 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile is CC1OCCC1(C#N)NCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile?
The InChIKey is DDRLPVJJBHIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6-7(4-12,2-3-14-6)13-5-8(9,10)11/h6,13H,2-3,5H2,1H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile?
2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile has a molecular weight of 208.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethylamino)oxolane-3-carbonitrile is sourced from PubChem (CID 82719065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).