N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H18F3NO3 — CID 66108641

IUPACN-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CCO)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-8(2-4-15)6-14-9(16)3-5-17-7-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyQGUXFXNGRZIKFA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.09
Rot. Bonds8

About N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 66108641) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID66108641
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(CCO)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-8(2-4-15)6-14-9(16)3-5-17-7-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyQGUXFXNGRZIKFA-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 66108641) is N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide is CC(CCO)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QGUXFXNGRZIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-8(2-4-15)6-14-9(16)3-5-17-7-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 257.25 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 66108641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).