N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H18F3NO3 — CID 113254236

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

About N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 113254236) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID113254236
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CCO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-2-8(3-4-15)5-14-9(16)6-17-7-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16)
InChIKeyHUNZAWZLVBDQRF-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

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Related Compounds

N-(2-ethyl-4-hydroxybutyl)-2-propoxyacetamide
CID 103771921
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212390
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
N-(2-ethylbutyl)-4,4,4-trifluorobutanamide
CID 115659906
N-(3,3-dimethyl-2-oxobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103867644
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209512
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111452358
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 113254236) is N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(CCO)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HUNZAWZLVBDQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-2-8(3-4-15)5-14-9(16)6-17-7-10(11,12)13/h8,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide 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-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 113254236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).