N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide

C9H17F2NO2 — CID 103208967

IUPACN-butan-2-yl-3-(2,2-difluoroethoxy)propanamide
SMILESCCC(C)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-3-7(2)12-9(13)4-5-14-6-8(10)11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeySTZHEYVIEOWCFA-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.57
Rot. Bonds7

About N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide

N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208967) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208967
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC NameN-butan-2-yl-3-(2,2-difluoroethoxy)propanamide
SMILESCCC(C)NC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-3-7(2)12-9(13)4-5-14-6-8(10)11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeySTZHEYVIEOWCFA-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Related Compounds

3-methoxy-N-(propan-2-yl)propanamide
CID 59304258
[3-(Butylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
CID 102222871
[3-(Cyclobutylamino)-2,2-dimethyl-3-oxopropyl] 2,2,2-trifluoroacetate
CID 162398941
Butyl N-(trifluoroacetyl)-beta-aminobutyrate
CID 587697
N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
CID 58502648
N-(3-aminopropyl)-3-(1,2-difluoroethoxy)-2,2-dimethylpropanamide
CID 58792662
N-(2,2-difluoroethyl)-3-methoxy-2-methylpropanamide
CID 144653432
3-methoxy-2-methyl-N-(1,1,1-trifluoropropan-2-yl)propanamide
CID 144653521
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
3-(3-Propoxypropanoylamino)propanoyl fluoride
CID 154676687
N-[3-[3-(tert-butylamino)propoxy]-2,2-difluoropropyl]propanamide
CID 161286348
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]propanamide
CID 161286349

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide (CID 103208967) is N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide is CCC(C)NC(=O)CCOCC(F)F.
What is the InChIKey of N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is STZHEYVIEOWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-3-7(2)12-9(13)4-5-14-6-8(10)11/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide?
N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 209.24 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).