N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide

C9H17F3N2O2 — CID 82721516

IUPACN-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESCCCC(C)NC(=O)CNOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-4-7(2)14-8(15)5-13-16-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyBMQKLJZKCYMCLP-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.37
Rot. Bonds7

About N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide

N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide (PubChem CID 82721516) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide
PubChem CID82721516
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide
SMILESCCCC(C)NC(=O)CNOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-4-7(2)14-8(15)5-13-16-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyBMQKLJZKCYMCLP-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-2-oxoethoxy)amino]-N-pentan-2-ylacetamide
CID 112673773
N-butyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82722976
N-(2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721531
2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82712606
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 82722618
N-(4-chlorobutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212622
N,N-diethyl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721266
N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721279
N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 104854905
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The IUPAC name of N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide (CID 82721516) is N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide.
What is the SMILES notation for N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The canonical SMILES for N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide is CCCC(C)NC(=O)CNOCC(F)(F)F.
What is the InChIKey of N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide?
The InChIKey is BMQKLJZKCYMCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-3-4-7(2)14-8(15)5-13-16-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide?
N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide has a molecular weight of 242.24 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide is sourced from PubChem (CID 82721516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).