N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide

C8H12F3N3O — CID 103367047

IUPACN-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNCC(C#N)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-6(15)14-3-2-13-5-7(4-12)8(9,10)11/h7,13H,2-3,5H2,1H3,(H,14,15)
InChIKeyYRIBQKUEPBROMZ-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.41
Rot. Bonds5

About N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide

N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide (PubChem CID 103367047) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
PubChem CID103367047
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC NameN-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNCC(C#N)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-6(15)14-3-2-13-5-7(4-12)8(9,10)11/h7,13H,2-3,5H2,1H3,(H,14,15)
InChIKeyYRIBQKUEPBROMZ-UHFFFAOYSA-N
XLogP0.41
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide
CID 103367520
N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide
CID 107529863
3,3,3-trifluoro-2-[(5-methylhexylamino)methyl]propanenitrile
CID 103367461
N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 43401592
3,3,3-trifluoro-2-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]propanenitrile
CID 103367626
2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile
CID 106147696
3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]propanenitrile
CID 103367343
N-tert-butyl-2-[(2-cyano-3,3,3-trifluoropropyl)amino]propanamide
CID 103367511
3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
CID 103367367
N-[2-(2,2-dicyclopropylethylamino)ethyl]acetamide
CID 107529576
N-(2,3,3,3-tetrafluoropropyl)acetamide
CID 130011160
3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)ethylamino]methyl]propanenitrile
CID 106261499

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide (CID 103367047) is N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide is CC(=O)NCCNCC(C#N)C(F)(F)F.
What is the InChIKey of N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide?
The InChIKey is YRIBQKUEPBROMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-6(15)14-3-2-13-5-7(4-12)8(9,10)11/h7,13H,2-3,5H2,1H3,(H,14,15).
What are the key properties of N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide?
N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide has a molecular weight of 223.20 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide is sourced from PubChem (CID 103367047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).