2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile

C6H9F3N2O — CID 103367334

IUPAC2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile
SMILESCCONCC(C#N)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-2-12-11-4-5(3-10)6(7,8)9/h5,11H,2,4H2,1H3
InChIKeyFTUWSTOISDQTSZ-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.23
Rot. Bonds4

About 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile

2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367334) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367334
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile
SMILESCCONCC(C#N)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c1-2-12-11-4-5(3-10)6(7,8)9/h5,11H,2,4H2,1H3
InChIKeyFTUWSTOISDQTSZ-UHFFFAOYSA-N
XLogP1.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile 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

3-(2,2,2-Trifluoroethoxyamino)butanenitrile
CID 81328688
2-methyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82712083
3,3,3-trifluoro-N-(2-methylpropoxy)propan-1-amine
CID 82714507
2,2-difluoro-N-(2-methylpropoxy)ethanamine
CID 82714613
2,2,2-trifluoro-N-(2-methylpropoxy)ethanamine
CID 82715290
2-(2,2,2-Trifluoroethoxyamino)propanenitrile
CID 82721395
3-(2,2,2-Trifluoroethoxyamino)propanenitrile
CID 82721777
3-(2,2,2-Trifluoroethoxyamino)pentanenitrile
CID 82722126
2-Methyl-3-(2,2,2-trifluoroethoxyamino)propanenitrile
CID 82722500
4-(2,2,2-Trifluoroethoxyamino)butanenitrile
CID 82722741
2-(2,2,2-Trifluoroethoxyamino)butanenitrile
CID 82722977
3,3,3-Trifluoro-2-[(methoxyamino)methyl]propanenitrile
CID 103367332

Frequently Asked Questions

What is the IUPAC name of 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile (CID 103367334) is 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile is CCONCC(C#N)C(F)(F)F.
What is the InChIKey of 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is FTUWSTOISDQTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-2-12-11-4-5(3-10)6(7,8)9/h5,11H,2,4H2,1H3.
What are the key properties of 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile?
2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 182.14 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethoxyamino)methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).