2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile

C10H15F3N2 — CID 65493837

IUPAC2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCCN(CC(F)(F)F)CC1(CC#N)CC1
InChIInChI=1S/C10H15F3N2/c1-2-15(8-10(11,12)13)7-9(3-4-9)5-6-14/h2-5,7-8H2,1H3
InChIKeyNZVYMTRWLUTRKL-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65493837) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65493837
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCCN(CC(F)(F)F)CC1(CC#N)CC1
InChIInChI=1S/C10H15F3N2/c1-2-15(8-10(11,12)13)7-9(3-4-9)5-6-14/h2-5,7-8H2,1H3
InChIKeyNZVYMTRWLUTRKL-UHFFFAOYSA-N
XLogP2.56
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile (CID 65493837) is 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile is CCN(CC(F)(F)F)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is NZVYMTRWLUTRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-2-15(8-10(11,12)13)7-9(3-4-9)5-6-14/h2-5,7-8H2,1H3.
What are the key properties of 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65493837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).