2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile

C10H15F3N2O — CID 65497331

IUPAC2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8-16-6-5-15-7-9(1-2-9)3-4-14/h15H,1-3,5-8H2
InChIKeyCEAQDZHNGYOPND-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.85
Rot. Bonds7

About 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65497331) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65497331
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8-16-6-5-15-7-9(1-2-9)3-4-14/h15H,1-3,5-8H2
InChIKeyCEAQDZHNGYOPND-UHFFFAOYSA-N
XLogP1.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile (CID 65497331) is 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNCCOCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is CEAQDZHNGYOPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)8-16-6-5-15-7-9(1-2-9)3-4-14/h15H,1-3,5-8H2.
What are the key properties of 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 236.24 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).