N-propyl-2-(2,2,2-trifluoroethylamino)propanamide

C8H15F3N2O — CID 43089176

IUPACN-propyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCCCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-4-12-7(14)6(2)13-5-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyVBZJWDQDCGRKNJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.05
Rot. Bonds5

About N-propyl-2-(2,2,2-trifluoroethylamino)propanamide

N-propyl-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 43089176) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-propyl-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN-propyl-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID43089176
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-propyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCCCNC(=O)C(C)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-3-4-12-7(14)6(2)13-5-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14)
InChIKeyVBZJWDQDCGRKNJ-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of N-propyl-2-(2,2,2-trifluoroethylamino)propanamide (CID 43089176) is N-propyl-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N-propyl-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N-propyl-2-(2,2,2-trifluoroethylamino)propanamide is CCCNC(=O)C(C)NCC(F)(F)F.
What is the InChIKey of N-propyl-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is VBZJWDQDCGRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-3-4-12-7(14)6(2)13-5-8(9,10)11/h6,13H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-propyl-2-(2,2,2-trifluoroethylamino)propanamide?
N-propyl-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 212.21 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 43089176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).