N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H18F3NO3 — CID 79252930

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-7(2)8(5-15)14-9(16)3-4-17-6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyMOHZXJYRLIOOFL-MRVPVSSYSA-N
MW257.25 g/mol
LogP1.09
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 79252930) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID79252930
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-7(2)8(5-15)14-9(16)3-4-17-6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16)/t8-/m1/s1
InChIKeyMOHZXJYRLIOOFL-MRVPVSSYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.09
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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methyloxetane-3-carboxamide
CID 136580842
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879224
N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879225
2-methyl-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)propanamide
CID 132250257
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
CID 171733416
ethane;2-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 172270355
3-Methyl-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 43353942
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
(2S)-3-methyl-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 61136903
N-(1-hydroxy-4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61246335
3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247486

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 79252930) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide is CC(C)[C@@H](CO)NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MOHZXJYRLIOOFL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-7(2)8(5-15)14-9(16)3-4-17-6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16)/t8-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 79252930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).