3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile

C8H11F3N2 — CID 103367234

IUPAC3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile
SMILESCC1CC1NCC(C#N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5-2-7(5)13-4-6(3-12)8(9,10)11/h5-7,13H,2,4H2,1H3
InChIKeyMBDQQRKLZARFBG-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.69
Rot. Bonds3

About 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile (PubChem CID 103367234) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile
PubChem CID103367234
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile
SMILESCC1CC1NCC(C#N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5-2-7(5)13-4-6(3-12)8(9,10)11/h5-7,13H,2,4H2,1H3
InChIKeyMBDQQRKLZARFBG-UHFFFAOYSA-N
XLogP1.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile (CID 103367234) is 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile is CC1CC1NCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile?
The InChIKey is MBDQQRKLZARFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5-2-7(5)13-4-6(3-12)8(9,10)11/h5-7,13H,2,4H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile has a molecular weight of 192.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(2-methylcyclopropyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).