3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide

C12H23F2NO3 — CID 103525825

IUPAC3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
SMILESCCC(CC)(CO)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H23F2NO3/c1-3-12(4-2,9-16)8-15-11(17)5-6-18-7-10(13)14/h10,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyCTTXAVGKRXXDQP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.57
Rot. Bonds10

About 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide

3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide (PubChem CID 103525825) has the molecular formula C12H23F2NO3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
PubChem CID103525825
Molecular FormulaC12H23F2NO3
Molecular Weight267.32 g/mol
Exact Mass267.16
IUPAC Name3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
SMILESCCC(CC)(CO)CNC(=O)CCOCC(F)F
InChIInChI=1S/C12H23F2NO3/c1-3-12(4-2,9-16)8-15-11(17)5-6-18-7-10(13)14/h10,16H,3-9H2,1-2H3,(H,15,17)
InChIKeyCTTXAVGKRXXDQP-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.57
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-Difluoro-1-(3-hydroxypropylamino)-1-oxopentan-3-yl] 2,2-dimethylbutanoate
CID 58571383
3,3,3-trifluoro-2-(hydroxymethyl)-2-methyl-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
CID 167425102
N-(3,3-dimethylbutan-2-yl)-3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropanamide
CID 171733416
N-(3-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 64459331
N-(3-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65031880
N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65112688
N-(4-hydroxy-2-methylbutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 66108641
N-(5-hydroxypentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 80292192
N-(2-ethyl-4-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 80308759
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 80708954
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
N-(3-hydroxy-2,2-dimethylpropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81648182

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide (CID 103525825) is 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide is CCC(CC)(CO)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The InChIKey is CTTXAVGKRXXDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO3/c1-3-12(4-2,9-16)8-15-11(17)5-6-18-7-10(13)14/h10,16H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide has a molecular weight of 267.32 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide is sourced from PubChem (CID 103525825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).