2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile

C7H9F3N2 — CID 61309982

IUPAC2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESN#CC(NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)4-12-6(3-11)5-1-2-5/h5-6,12H,1-2,4H2
InChIKeyHIOMRTXFGUQNNS-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.44
Rot. Bonds3

About 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile

2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile (PubChem CID 61309982) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile
PubChem CID61309982
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESN#CC(NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)4-12-6(3-11)5-1-2-5/h5-6,12H,1-2,4H2
InChIKeyHIOMRTXFGUQNNS-UHFFFAOYSA-N
XLogP1.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile (CID 61309982) is 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile is N#CC(NCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile?
The InChIKey is HIOMRTXFGUQNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)4-12-6(3-11)5-1-2-5/h5-6,12H,1-2,4H2.
What are the key properties of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile?
2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile has a molecular weight of 178.16 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)acetonitrile is sourced from PubChem (CID 61309982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).