N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H20F3NO3 — CID 61246335

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CC(CO)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-8(2)5-9(6-16)15-10(17)3-4-18-7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyRMHZKBYLKJABGU-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.48
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 61246335) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID61246335
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)CC(CO)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-8(2)5-9(6-16)15-10(17)3-4-18-7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17)
InChIKeyRMHZKBYLKJABGU-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.48
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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Related Compounds

2,2,2-trifluoro-N-[(2s,3s)-1-hydroxy-3-methylpentan-2-yl]-acetamide
CID 129774022
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
2-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]pentanamide
CID 161726386
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide
CID 39236462
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]pentanoic acid
CID 43353258
N-(1-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43417841
N-(1-hydroxypropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43418548
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234
(2S)-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]pentanoic acid
CID 61137905
3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247486

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 61246335) is N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)CC(CO)NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is RMHZKBYLKJABGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-8(2)5-9(6-16)15-10(17)3-4-18-7-11(12,13)14/h8-9,16H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 271.28 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 61246335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).