3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile

C7H11F3N2 — CID 60684504

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile
SMILESCN(CCC#N)CCC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-12(5-2-4-11)6-3-7(8,9)10/h2-3,5-6H2,1H3
InChIKeyIYMYPMDBYZOILW-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.78
Rot. Bonds4

About 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile

3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile (PubChem CID 60684504) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile
PubChem CID60684504
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile
SMILESCN(CCC#N)CCC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-12(5-2-4-11)6-3-7(8,9)10/h2-3,5-6H2,1H3
InChIKeyIYMYPMDBYZOILW-UHFFFAOYSA-N
XLogP1.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propanenitrile, 3,3'-(methylimino)bis-
CID 73779
N-(2-Cyanoethyl)diethylamine
CID 79306
3-(Ethyl(methyl)amino)propanenitrile
CID 551592
Ethanamine, 2,2,2-trifluoro-N-methyl-N-propyl-
CID 23273437
2,2,2-TriF ethylamine,N-Pr,N-Et
CID 23273493
2-[2-Fluoropropyl(methyl)amino]acetonitrile
CID 44521770
3-[2-Fluoropropyl(methyl)amino]propanenitrile
CID 44521776
N-(difluoromethyl)-N-propylpropan-1-amine
CID 23154532
3-[Cyanomethyl(methyl)amino]propanenitrile
CID 28386420
N,N-diethyl-1,1-difluoropropan-1-amine
CID 57486595
N,N-diethyl-1,1,2-trifluoropropan-1-amine
CID 57558373
N-ethyl-3,3,3-trifluoro-N-methylpropan-1-amine
CID 59154794

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile (CID 60684504) is 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile is CN(CCC#N)CCC(F)(F)F.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile?
The InChIKey is IYMYPMDBYZOILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-12(5-2-4-11)6-3-7(8,9)10/h2-3,5-6H2,1H3.
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile?
3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile has a molecular weight of 180.17 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]propanenitrile is sourced from PubChem (CID 60684504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).