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

C9H13F3N2 — CID 65494660

IUPAC2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CC(F)(F)F)CC1(CC#N)CC1
InChIInChI=1S/C9H13F3N2/c1-14(7-9(10,11)12)6-8(2-3-8)4-5-13/h2-4,6-7H2,1H3
InChIKeyIGVNKKKOWULHHJ-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.17
Rot. Bonds4

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

2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65494660) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65494660
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CC(F)(F)F)CC1(CC#N)CC1
InChIInChI=1S/C9H13F3N2/c1-14(7-9(10,11)12)6-8(2-3-8)4-5-13/h2-4,6-7H2,1H3
InChIKeyIGVNKKKOWULHHJ-UHFFFAOYSA-N
XLogP2.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile (CID 65494660) is 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile is CN(CC(F)(F)F)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is IGVNKKKOWULHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-14(7-9(10,11)12)6-8(2-3-8)4-5-13/h2-4,6-7H2,1H3.
What are the key properties of 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 206.21 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65494660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).