(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide

C8H15F3N2O2 — CID 104903880

IUPAC(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(2)3-6(12)7(14)13-15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyNAYWBDMEUDSEHE-ZCFIWIBFSA-N
MW228.21 g/mol
LogP0.97
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide

(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide (PubChem CID 104903880) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
PubChem CID104903880
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NOCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(2)3-6(12)7(14)13-15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyNAYWBDMEUDSEHE-ZCFIWIBFSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340409
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide
CID 114274918
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pentanamide
CID 119701662
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(2S)-2-amino-4-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119699251
(2S)-2-amino-4-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentanamide
CID 61156174
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529
(2R)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291723
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylpentanamide
CID 106176696
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite
CID 158164073

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide (CID 104903880) is (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide is CC(C)C[C@@H](N)C(=O)NOCC(F)(F)F.
What is the InChIKey of (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide?
The InChIKey is NAYWBDMEUDSEHE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-5(2)3-6(12)7(14)13-15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide?
(2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide has a molecular weight of 228.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-(2,2,2-trifluoroethoxy)pentanamide is sourced from PubChem (CID 104903880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).