2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide

C12H15F2NO3 — CID 135376917

IUPAC2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide
SMILESCOCOC(C)c1ccccc1C(F)(F)C(N)=O
InChIInChI=1S/C12H15F2NO3/c1-8(18-7-17-2)9-5-3-4-6-10(9)12(13,14)11(15)16/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyPOVZOXXBXZEFDE-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.95
Rot. Bonds6

About 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide

2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide (PubChem CID 135376917) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide
PubChem CID135376917
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide
SMILESCOCOC(C)c1ccccc1C(F)(F)C(N)=O
InChIInChI=1S/C12H15F2NO3/c1-8(18-7-17-2)9-5-3-4-6-10(9)12(13,14)11(15)16/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyPOVZOXXBXZEFDE-UHFFFAOYSA-N
XLogP1.95
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
3-[2-(1-methoxyethyl)phenyl]-3-methylbutanoic acid
CID 115112920
[(2S)-1-(2-iodophenyl)-2-(methoxymethoxy)propyl] carbamate
CID 175407160
3-[2-(trifluoromethoxy)phenyl]butanamide
CID 50995485
N-(2-tert-butylphenyl)-2-(methoxymethoxy)propanamide
CID 73080335
[(2R,3R)-3-[2-(trifluoromethyl)phenyl]butan-2-yl] (2S)-2-aminopropanoate
CID 139473117
[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
CID 175527175
4-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 105096267
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
2-methyl-3-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 81008606
1-[2-(trifluoromethyl)phenyl]ethyl trifluoromethanesulfonate
CID 102621523
methyl 2-[2-bromo-3-(trifluoromethyl)phenyl]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 123421549

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide?
The IUPAC name of 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide (CID 135376917) is 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide is COCOC(C)c1ccccc1C(F)(F)C(N)=O.
What is the InChIKey of 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide?
The InChIKey is POVZOXXBXZEFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-8(18-7-17-2)9-5-3-4-6-10(9)12(13,14)11(15)16/h3-6,8H,7H2,1-2H3,(H2,15,16).
What are the key properties of 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide?
2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide has a molecular weight of 259.25 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[2-[1-(methoxymethoxy)ethyl]phenyl]acetamide is sourced from PubChem (CID 135376917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).