2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

C8H15F3N2O — CID 60944736

IUPAC2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)N
InChIInChI=1S/C8H15F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h6H,3-5,12H2,1-2H3
InChIKeyUPQJPEIXXIWWEI-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide

2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60944736) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60944736
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)N
InChIInChI=1S/C8H15F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h6H,3-5,12H2,1-2H3
InChIKeyUPQJPEIXXIWWEI-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (CID 60944736) is 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is CCCN(CC(F)(F)F)C(=O)C(C)N.
What is the InChIKey of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UPQJPEIXXIWWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-3-4-13(5-8(9,10)11)7(14)6(2)12/h6H,3-5,12H2,1-2H3.
What are the key properties of 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 212.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60944736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).