3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide

C10H17F2NO3 — CID 103208979

IUPAC3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)CCOCC(F)F)COC1
InChIInChI=1S/C10H17F2NO3/c1-10(6-16-7-10)5-13-9(14)2-3-15-4-8(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyLTJGOJXAUCAENN-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.81
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide

3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide (PubChem CID 103208979) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
PubChem CID103208979
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)CCOCC(F)F)COC1
InChIInChI=1S/C10H17F2NO3/c1-10(6-16-7-10)5-13-9(14)2-3-15-4-8(11)12/h8H,2-7H2,1H3,(H,13,14)
InChIKeyLTJGOJXAUCAENN-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 103209084
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide
CID 78957563
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987
methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956822

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide (CID 103208979) is 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide is CC1(CNC(=O)CCOCC(F)F)COC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The InChIKey is LTJGOJXAUCAENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-10(6-16-7-10)5-13-9(14)2-3-15-4-8(11)12/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide?
3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide has a molecular weight of 237.25 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide is sourced from PubChem (CID 103208979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).