2,2-difluoroethyl 2-(3-aminophenyl)acetate

C10H11F2NO2 — CID 62500335

IUPAC2,2-difluoroethyl 2-(3-aminophenyl)acetate
SMILESNc1cccc(CC(=O)OCC(F)F)c1
InChIInChI=1S/C10H11F2NO2/c11-9(12)6-15-10(14)5-7-2-1-3-8(13)4-7/h1-4,9H,5-6,13H2
InChIKeyZZNWWTUPFAQGTO-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.62
Rot. Bonds4

About 2,2-difluoroethyl 2-(3-aminophenyl)acetate

2,2-difluoroethyl 2-(3-aminophenyl)acetate (PubChem CID 62500335) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2,2-difluoroethyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name2,2-difluoroethyl 2-(3-aminophenyl)acetate
PubChem CID62500335
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2,2-difluoroethyl 2-(3-aminophenyl)acetate
SMILESNc1cccc(CC(=O)OCC(F)F)c1
InChIInChI=1S/C10H11F2NO2/c11-9(12)6-15-10(14)5-7-2-1-3-8(13)4-7/h1-4,9H,5-6,13H2
InChIKeyZZNWWTUPFAQGTO-UHFFFAOYSA-N
XLogP1.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
CID 62500505
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
5-hydroxypentyl 2-(3-aminophenyl)acetate
CID 62500174
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate
CID 114348583
methyl 4-[2-(3-aminophenyl)acetyl]oxybutanoate
CID 62498068
2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
CID 62499206
[3-(methylamino)-3-oxopropyl] 2-(3-aminophenyl)acetate
CID 62500028
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042
cycloheptyl 2-(3-aminophenyl)acetate
CID 62499374
(4-cyano-2-fluorophenyl)methyl 2-(3-aminophenyl)acetate
CID 62498393

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 2-(3-aminophenyl)acetate?
The IUPAC name of 2,2-difluoroethyl 2-(3-aminophenyl)acetate (CID 62500335) is 2,2-difluoroethyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for 2,2-difluoroethyl 2-(3-aminophenyl)acetate?
The canonical SMILES for 2,2-difluoroethyl 2-(3-aminophenyl)acetate is Nc1cccc(CC(=O)OCC(F)F)c1.
What is the InChIKey of 2,2-difluoroethyl 2-(3-aminophenyl)acetate?
The InChIKey is ZZNWWTUPFAQGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c11-9(12)6-15-10(14)5-7-2-1-3-8(13)4-7/h1-4,9H,5-6,13H2.
What are the key properties of 2,2-difluoroethyl 2-(3-aminophenyl)acetate?
2,2-difluoroethyl 2-(3-aminophenyl)acetate has a molecular weight of 215.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 62500335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).