2-fluoroethyl 2-amino-5-fluorobenzoate

C9H9F2NO2 — CID 79078827

IUPAC2-fluoroethyl 2-amino-5-fluorobenzoate
SMILESNc1ccc(F)cc1C(=O)OCCF
InChIInChI=1S/C9H9F2NO2/c10-3-4-14-9(13)7-5-6(11)1-2-8(7)12/h1-2,5H,3-4,12H2
InChIKeyADYUWYTZFFONQK-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.53
Rot. Bonds3

About 2-fluoroethyl 2-amino-5-fluorobenzoate

2-fluoroethyl 2-amino-5-fluorobenzoate (PubChem CID 79078827) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-fluoroethyl 2-amino-5-fluorobenzoate.

Molecular Properties

Compound Name2-fluoroethyl 2-amino-5-fluorobenzoate
PubChem CID79078827
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-fluoroethyl 2-amino-5-fluorobenzoate
SMILESNc1ccc(F)cc1C(=O)OCCF
InChIInChI=1S/C9H9F2NO2/c10-3-4-14-9(13)7-5-6(11)1-2-8(7)12/h1-2,5H,3-4,12H2
InChIKeyADYUWYTZFFONQK-UHFFFAOYSA-N
XLogP1.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.53
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

hexyl 2-amino-5-fluorobenzoate
CID 63447240
[3-(dimethylamino)-3-oxopropyl] 2-amino-5-fluorobenzoate
CID 61316196
2-tert-butylsulfonylethyl 2-amino-5-fluorobenzoate
CID 106728776
[3-(ethylamino)-3-oxopropyl] 2-amino-5-fluorobenzoate
CID 62325208
[3-oxo-3-(propan-2-ylamino)propyl] 2-amino-5-fluorobenzoate
CID 62626625
2-hydroxyethyl 2-bromo-5-fluorobenzoate
CID 55537059
(2-hydroxy-3-methylbutyl) 2-amino-5-fluorobenzoate
CID 114249945
2-fluoroethyl 5-amino-2-fluorobenzoate
CID 80694649
2-(2-methylimidazol-1-yl)ethyl 2-amino-5-fluorobenzoate
CID 61493741
5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
CID 91716914
cyclopentyl 2-amino-5-fluorobenzoate
CID 61278608
propyl 2,5-difluorobenzoate
CID 43416946

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-amino-5-fluorobenzoate?
The IUPAC name of 2-fluoroethyl 2-amino-5-fluorobenzoate (CID 79078827) is 2-fluoroethyl 2-amino-5-fluorobenzoate.
What is the SMILES notation for 2-fluoroethyl 2-amino-5-fluorobenzoate?
The canonical SMILES for 2-fluoroethyl 2-amino-5-fluorobenzoate is Nc1ccc(F)cc1C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 2-amino-5-fluorobenzoate?
The InChIKey is ADYUWYTZFFONQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-3-4-14-9(13)7-5-6(11)1-2-8(7)12/h1-2,5H,3-4,12H2.
What are the key properties of 2-fluoroethyl 2-amino-5-fluorobenzoate?
2-fluoroethyl 2-amino-5-fluorobenzoate has a molecular weight of 201.17 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-amino-5-fluorobenzoate is sourced from PubChem (CID 79078827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).