2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C8H11F3N2 — CID 103367701

IUPAC2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N2/c1-13(7-2-3-7)5-6(4-12)8(9,10)11/h6-7H,2-3,5H2,1H3
InChIKeyYODYQMIDIZEUBI-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.78
Rot. Bonds3

About 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367701) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367701
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N2/c1-13(7-2-3-7)5-6(4-12)8(9,10)11/h6-7H,2-3,5H2,1H3
InChIKeyYODYQMIDIZEUBI-UHFFFAOYSA-N
XLogP1.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367701) is 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CN(CC(C#N)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is YODYQMIDIZEUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-13(7-2-3-7)5-6(4-12)8(9,10)11/h6-7H,2-3,5H2,1H3.
What are the key properties of 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 192.18 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).