N-tert-butyl-3-(2,2-difluoroethoxy)propanamide

C9H17F2NO2 — CID 103208957

IUPACN-tert-butyl-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(C)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-9(2,3)12-8(13)4-5-14-6-7(10)11/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyPHLFOIGNFXMCRJ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.57
Rot. Bonds5

About N-tert-butyl-3-(2,2-difluoroethoxy)propanamide

N-tert-butyl-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208957) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-tert-butyl-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208957
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC NameN-tert-butyl-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)(C)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-9(2,3)12-8(13)4-5-14-6-7(10)11/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyPHLFOIGNFXMCRJ-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-(2,2-difluoroethoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(Tert-butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
CID 162398940
[3-(Tert-butylamino)-2-methyl-3-oxopropyl] hypofluorite
CID 157032145
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43500828
2,2,2-trifluoro-N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 88578165
N-(2-cyanopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208212
N-(2-cyanobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103208224
3-(2,2-difluoroethoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 103209005
3-(2,2-difluoroethoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 103209182
N-(1-amino-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103209396
3-(2,2-difluoroethoxy)-N-(2-methylbut-3-yn-2-yl)propanamide
CID 103211868
N-(1-chloro-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212327
N-(1-bromo-2-methylpropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212454

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-tert-butyl-3-(2,2-difluoroethoxy)propanamide (CID 103208957) is N-tert-butyl-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-tert-butyl-3-(2,2-difluoroethoxy)propanamide is CC(C)(C)NC(=O)CCOCC(F)F.
What is the InChIKey of N-tert-butyl-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is PHLFOIGNFXMCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-9(2,3)12-8(13)4-5-14-6-7(10)11/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-3-(2,2-difluoroethoxy)propanamide?
N-tert-butyl-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 209.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).