cyclopentyl 2-amino-5-fluorobenzoate

C12H14FNO2 — CID 61278608

IUPACcyclopentyl 2-amino-5-fluorobenzoate
SMILESNc1ccc(F)cc1C(=O)OC1CCCC1
InChIInChI=1S/C12H14FNO2/c13-8-5-6-11(14)10(7-8)12(15)16-9-3-1-2-4-9/h5-7,9H,1-4,14H2
InChIKeyLCZZJAZRLBKFBV-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.51
Rot. Bonds2

About cyclopentyl 2-amino-5-fluorobenzoate

cyclopentyl 2-amino-5-fluorobenzoate (PubChem CID 61278608) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is cyclopentyl 2-amino-5-fluorobenzoate.

Molecular Properties

Compound Namecyclopentyl 2-amino-5-fluorobenzoate
PubChem CID61278608
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namecyclopentyl 2-amino-5-fluorobenzoate
SMILESNc1ccc(F)cc1C(=O)OC1CCCC1
InChIInChI=1S/C12H14FNO2/c13-8-5-6-11(14)10(7-8)12(15)16-9-3-1-2-4-9/h5-7,9H,1-4,14H2
InChIKeyLCZZJAZRLBKFBV-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.51
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

cyclopentyl 3-amino-2,5-difluorobenzoate
CID 103897832
cycloheptyl 2-amino-5-iodobenzoate
CID 63541722
cyclobutyl 2-amino-4,5-difluorobenzoate
CID 55125527
(4,4-dimethylcyclohexyl) 2-amino-4-fluorobenzoate
CID 114341474
cyclohexyl 2-aminobenzoate
CID 24510
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
cyclobutyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814934
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
cycloheptyl 2-amino-4,5-dimethoxybenzoate
CID 61301747
cyclopentyl 4-fluorobenzoate
CID 579482
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
cyclobutyl 2-amino-4,5-dimethoxybenzoate
CID 62217231

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-amino-5-fluorobenzoate?
The IUPAC name of cyclopentyl 2-amino-5-fluorobenzoate (CID 61278608) is cyclopentyl 2-amino-5-fluorobenzoate.
What is the SMILES notation for cyclopentyl 2-amino-5-fluorobenzoate?
The canonical SMILES for cyclopentyl 2-amino-5-fluorobenzoate is Nc1ccc(F)cc1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-amino-5-fluorobenzoate?
The InChIKey is LCZZJAZRLBKFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-8-5-6-11(14)10(7-8)12(15)16-9-3-1-2-4-9/h5-7,9H,1-4,14H2.
What are the key properties of cyclopentyl 2-amino-5-fluorobenzoate?
cyclopentyl 2-amino-5-fluorobenzoate has a molecular weight of 223.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-amino-5-fluorobenzoate is sourced from PubChem (CID 61278608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).