2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide

C9H17F3N2O — CID 79790165

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-4-5-6(2)14-7(15)8(3,13)9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyPCFHTYNLNBYEPW-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide

2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide (PubChem CID 79790165) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
PubChem CID79790165
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-4-5-6(2)14-7(15)8(3,13)9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyPCFHTYNLNBYEPW-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3,3-trifluoro-N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 79812031
2-amino-N-[5-(diethylamino)pentan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797225
2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide
CID 79804770
2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 79810676
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
2-amino-3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106116606
2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79796905
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 79793690
2-amino-N-heptan-2-yl-2-methylpropanamide
CID 61264408
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676
2-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]butanoic acid
CID 79811364
2-amino-3-methyl-2-(trifluoromethyl)hexanoic acid
CID 107887883

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide (CID 79790165) is 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide?
The InChIKey is PCFHTYNLNBYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-4-5-6(2)14-7(15)8(3,13)9(10,11)12/h6H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide has a molecular weight of 226.24 g/mol, XLogP of 1.57, 4 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-pentan-2-ylpropanamide is sourced from PubChem (CID 79790165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).