3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile

C7H11F3N2O — CID 103366873

IUPAC3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile
SMILESCOCCNCC(C#N)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-13-3-2-12-5-6(4-11)7(8,9)10/h6,12H,2-3,5H2,1H3
InChIKeyRAGPQZSFGKPTFI-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.92
Rot. Bonds5

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

3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile (PubChem CID 103366873) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile
PubChem CID103366873
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile
SMILESCOCCNCC(C#N)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-13-3-2-12-5-6(4-11)7(8,9)10/h6,12H,2-3,5H2,1H3
InChIKeyRAGPQZSFGKPTFI-UHFFFAOYSA-N
XLogP0.92
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Methoxyethyl)(3,3,3-trifluoropropyl)amine
CID 59028600
2-methyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65802991
2,2-difluoro-N-(2-methoxyethyl)propan-1-amine
CID 131050605
2-(3,3-Difluoropropylamino)propyl cyanate
CID 156088128
3-[2-(2,2,2-Trifluoroethoxy)ethylamino]propanenitrile
CID 60728855
2-(Ethylamino)-2-methyl-3-(2,2,3,3-tetrafluoropropoxy)propanenitrile
CID 61898188
2-(Ethylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 61906752
2-(Propylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 61906753
2-(Propylamino)-3-(2,2,3,3-tetrafluoropropoxy)propanenitrile
CID 61909271
2-(Ethylamino)-2-methyl-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 61928702
2-Methyl-2-(propylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 61928703
2-Methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propanenitrile
CID 61928910

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile (CID 103366873) is 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile is COCCNCC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile?
The InChIKey is RAGPQZSFGKPTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-13-3-2-12-5-6(4-11)7(8,9)10/h6,12H,2-3,5H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile?
3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile has a molecular weight of 196.17 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-methoxyethylamino)methyl]propanenitrile is sourced from PubChem (CID 103366873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).