2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide

C9H17F3N2O2 — CID 63826885

IUPAC2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
SMILESCC(C)C(N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(2)7(13)8(15)14-3-4-16-5-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyQMDPBCORDGDPNJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.66
Rot. Bonds6

About 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide

2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide (PubChem CID 63826885) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
PubChem CID63826885
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
SMILESCC(C)C(N)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(2)7(13)8(15)14-3-4-16-5-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)
InChIKeyQMDPBCORDGDPNJ-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide (CID 63826885) is 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide is CC(C)C(N)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
The InChIKey is QMDPBCORDGDPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(2)7(13)8(15)14-3-4-16-5-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide?
2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide is sourced from PubChem (CID 63826885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).