2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide

C13H17F2NO4 — CID 155796910

IUPAC2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide
SMILESCOCCOCCOc1cccc(C(F)(F)C(N)=O)c1
InChIInChI=1S/C13H17F2NO4/c1-18-5-6-19-7-8-20-11-4-2-3-10(9-11)13(14,15)12(16)17/h2-4,9H,5-8H2,1H3,(H2,16,17)
InChIKeyCNFYRMVESFORHE-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.31
Rot. Bonds9

About 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide

2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide (PubChem CID 155796910) has the molecular formula C13H17F2NO4 and a molecular weight of 289.28 g/mol. Its IUPAC name is 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide
PubChem CID155796910
Molecular FormulaC13H17F2NO4
Molecular Weight289.28 g/mol
Exact Mass289.11
IUPAC Name2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide
SMILESCOCCOCCOc1cccc(C(F)(F)C(N)=O)c1
InChIInChI=1S/C13H17F2NO4/c1-18-5-6-19-7-8-20-11-4-2-3-10(9-11)13(14,15)12(16)17/h2-4,9H,5-8H2,1H3,(H2,16,17)
InChIKeyCNFYRMVESFORHE-UHFFFAOYSA-N
XLogP1.31
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270
2-(3-tert-butylphenoxy)ethyl acetate
CID 20619578
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
1-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 150416186
2,2-difluoro-2-[3-(2-methylsulfonylethoxy)phenyl]acetic acid
CID 118646945
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
3-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 54936296
4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide?
The IUPAC name of 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide (CID 155796910) is 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide is COCCOCCOc1cccc(C(F)(F)C(N)=O)c1.
What is the InChIKey of 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide?
The InChIKey is CNFYRMVESFORHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO4/c1-18-5-6-19-7-8-20-11-4-2-3-10(9-11)13(14,15)12(16)17/h2-4,9H,5-8H2,1H3,(H2,16,17).
What are the key properties of 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide?
2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide has a molecular weight of 289.28 g/mol, XLogP of 1.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]acetamide is sourced from PubChem (CID 155796910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).