[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate

C15H19F2NO4 — CID 7950713

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H19F2NO4/c1-15(2,3)8-13(20)21-9-12(19)18-10-6-4-5-7-11(10)22-14(16)17/h4-7,14H,8-9H2,1-3H3,(H,18,19)
InChIKeyHTUJLNVLRZYMKL-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.21
Rot. Bonds6

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate (PubChem CID 7950713) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
PubChem CID7950713
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate
SMILESCC(C)(C)CC(=O)OCC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C15H19F2NO4/c1-15(2,3)8-13(20)21-9-12(19)18-10-6-4-5-7-11(10)22-14(16)17/h4-7,14H,8-9H2,1-3H3,(H,18,19)
InChIKeyHTUJLNVLRZYMKL-UHFFFAOYSA-N
XLogP3.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate with MolForge

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Related Compounds

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139967
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-1-yloxyacetate
CID 35775354
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984705
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855020
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 40706586
[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7771051
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840498
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821391

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate (CID 7950713) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate is CC(C)(C)CC(=O)OCC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate?
The InChIKey is HTUJLNVLRZYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-15(2,3)8-13(20)21-9-12(19)18-10-6-4-5-7-11(10)22-14(16)17/h4-7,14H,8-9H2,1-3H3,(H,18,19).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate has a molecular weight of 315.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,3-dimethylbutanoate is sourced from PubChem (CID 7950713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).