butyl 2-[2-(difluoromethoxy)anilino]acetate

C13H17F2NO3 — CID 60679734

IUPACbutyl 2-[2-(difluoromethoxy)anilino]acetate
SMILESCCCCOC(=O)CNc1ccccc1OC(F)F
InChIInChI=1S/C13H17F2NO3/c1-2-3-8-18-12(17)9-16-10-6-4-5-7-11(10)19-13(14)15/h4-7,13,16H,2-3,8-9H2,1H3
InChIKeyMXMQILCWCDKSAK-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.04
Rot. Bonds8

About butyl 2-[2-(difluoromethoxy)anilino]acetate

butyl 2-[2-(difluoromethoxy)anilino]acetate (PubChem CID 60679734) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is butyl 2-[2-(difluoromethoxy)anilino]acetate.

Molecular Properties

Compound Namebutyl 2-[2-(difluoromethoxy)anilino]acetate
PubChem CID60679734
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Namebutyl 2-[2-(difluoromethoxy)anilino]acetate
SMILESCCCCOC(=O)CNc1ccccc1OC(F)F
InChIInChI=1S/C13H17F2NO3/c1-2-3-8-18-12(17)9-16-10-6-4-5-7-11(10)19-13(14)15/h4-7,13,16H,2-3,8-9H2,1H3
InChIKeyMXMQILCWCDKSAK-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.04
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

N-decyl-2-(difluoromethoxy)aniline
CID 63489062
2-(difluoromethoxy)-N-hexylaniline
CID 28877775
2-[2-(difluoromethoxy)anilino]-N-(ethylcarbamoyl)acetamide
CID 26525960
butyl 2-(4-fluoro-2-methoxyanilino)acetate
CID 54968572
butyl 2-(3-chloro-2-methylanilino)acetate
CID 54917755
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
2-amino-N-[2-(difluoromethoxy)phenyl]-2-methylpentanamide
CID 54928740
2-[2-(difluoromethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 37480115
butyl 2-(4-propan-2-yloxyanilino)acetate
CID 60822958
N-(cyanomethyl)-2-[2-(difluoromethoxy)anilino]acetamide
CID 43146653
heptyl 2-anilinoacetate
CID 61302862
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747

Frequently Asked Questions

What is the IUPAC name of butyl 2-[2-(difluoromethoxy)anilino]acetate?
The IUPAC name of butyl 2-[2-(difluoromethoxy)anilino]acetate (CID 60679734) is butyl 2-[2-(difluoromethoxy)anilino]acetate.
What is the SMILES notation for butyl 2-[2-(difluoromethoxy)anilino]acetate?
The canonical SMILES for butyl 2-[2-(difluoromethoxy)anilino]acetate is CCCCOC(=O)CNc1ccccc1OC(F)F.
What is the InChIKey of butyl 2-[2-(difluoromethoxy)anilino]acetate?
The InChIKey is MXMQILCWCDKSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-2-3-8-18-12(17)9-16-10-6-4-5-7-11(10)19-13(14)15/h4-7,13,16H,2-3,8-9H2,1H3.
What are the key properties of butyl 2-[2-(difluoromethoxy)anilino]acetate?
butyl 2-[2-(difluoromethoxy)anilino]acetate has a molecular weight of 273.28 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[2-(difluoromethoxy)anilino]acetate is sourced from PubChem (CID 60679734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).