2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide

C7H13F3N2O — CID 79789702

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-3-4-12-5(13)6(2,11)7(8,9)10/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyKREXGHVMRMKLSX-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide

2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide (PubChem CID 79789702) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
PubChem CID79789702
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-3-4-12-5(13)6(2,11)7(8,9)10/h3-4,11H2,1-2H3,(H,12,13)
InChIKeyKREXGHVMRMKLSX-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methylpentyl)-2-methylpropanamide
CID 114169327
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
CID 614782
N-propyl-2,2-bis(trifluoromethyl)butanamide
CID 71671965
methyl 4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]butanoate
CID 79805889
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165
2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106116606
2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]butanoic acid
CID 79811364
2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 114093542
2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 106398035
2-amino-3,3,3-trifluoro-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135692
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide (CID 79789702) is 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide is CCCNC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide?
The InChIKey is KREXGHVMRMKLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-3-4-12-5(13)6(2,11)7(8,9)10/h3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide has a molecular weight of 198.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide is sourced from PubChem (CID 79789702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).