2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H16F3N3O — CID 54979694

IUPAC2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(=O)NCC(F)(F)F)CC(C)C#N
InChIInChI=1S/C10H16F3N3O/c1-3-16(5-8(2)4-14)6-9(17)15-7-10(11,12)13/h8H,3,5-7H2,1-2H3,(H,15,17)
InChIKeyQPQFODPHUUPVAM-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.15
Rot. Bonds6

About 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54979694) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54979694
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(=O)NCC(F)(F)F)CC(C)C#N
InChIInChI=1S/C10H16F3N3O/c1-3-16(5-8(2)4-14)6-9(17)15-7-10(11,12)13/h8H,3,5-7H2,1-2H3,(H,15,17)
InChIKeyQPQFODPHUUPVAM-UHFFFAOYSA-N
XLogP1.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54979694) is 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(=O)NCC(F)(F)F)CC(C)C#N.
What is the InChIKey of 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QPQFODPHUUPVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-3-16(5-8(2)4-14)6-9(17)15-7-10(11,12)13/h8H,3,5-7H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(ethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54979694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).