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

C10H16F3N3O — CID 103367195

IUPAC3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC(C#N)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-4-16-9(17)3-5-15-7-8(6-14)10(11,12)13/h8,15H,2-5,7H2,1H3,(H,16,17)
InChIKeyGEAAWPHHNNEGQV-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.19
Rot. Bonds7

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

3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide (PubChem CID 103367195) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide
PubChem CID103367195
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCC(C#N)C(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-2-4-16-9(17)3-5-15-7-8(6-14)10(11,12)13/h8,15H,2-5,7H2,1H3,(H,16,17)
InChIKeyGEAAWPHHNNEGQV-UHFFFAOYSA-N
XLogP1.19
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide (CID 103367195) is 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide is CCCNC(=O)CCNCC(C#N)C(F)(F)F.
What is the InChIKey of 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide?
The InChIKey is GEAAWPHHNNEGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-4-16-9(17)3-5-15-7-8(6-14)10(11,12)13/h8,15H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide?
3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide has a molecular weight of 251.25 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide is sourced from PubChem (CID 103367195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).