cyclopentyl 3-amino-4-fluorobenzoate

C12H14FNO2 — CID 61279217

IUPACcyclopentyl 3-amino-4-fluorobenzoate
SMILESNc1cc(C(=O)OC2CCCC2)ccc1F
InChIInChI=1S/C12H14FNO2/c13-10-6-5-8(7-11(10)14)12(15)16-9-3-1-2-4-9/h5-7,9H,1-4,14H2
InChIKeyFZUMUQDIUJOKLK-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.51
Rot. Bonds2

About cyclopentyl 3-amino-4-fluorobenzoate

cyclopentyl 3-amino-4-fluorobenzoate (PubChem CID 61279217) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is cyclopentyl 3-amino-4-fluorobenzoate.

Molecular Properties

Compound Namecyclopentyl 3-amino-4-fluorobenzoate
PubChem CID61279217
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namecyclopentyl 3-amino-4-fluorobenzoate
SMILESNc1cc(C(=O)OC2CCCC2)ccc1F
InChIInChI=1S/C12H14FNO2/c13-10-6-5-8(7-11(10)14)12(15)16-9-3-1-2-4-9/h5-7,9H,1-4,14H2
InChIKeyFZUMUQDIUJOKLK-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

(4-methylcyclohexyl) 3-amino-4-fluorobenzoate
CID 61276815
oxetan-3-yl 3-amino-4-fluorobenzoate
CID 115669798
cyclobutyl 3,4-difluorobenzoate
CID 174934695
cyclopentyl 3-amino-4-methylbenzoate
CID 61278814
(1-methylpyrrolidin-3-yl) 3-amino-4-fluorobenzoate
CID 112741420
cyclopentyl 3-amino-5-fluoro-4-methylbenzoate
CID 61309816
cyclopentyl 4-fluorobenzoate
CID 579482
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194
cyclohexyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310617
cycloheptyl 3-amino-5-fluoro-4-methylbenzoate
CID 61310474
cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434
cyclohexyl 3-[(3-amino-4-fluorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 134144485

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-amino-4-fluorobenzoate?
The IUPAC name of cyclopentyl 3-amino-4-fluorobenzoate (CID 61279217) is cyclopentyl 3-amino-4-fluorobenzoate.
What is the SMILES notation for cyclopentyl 3-amino-4-fluorobenzoate?
The canonical SMILES for cyclopentyl 3-amino-4-fluorobenzoate is Nc1cc(C(=O)OC2CCCC2)ccc1F.
What is the InChIKey of cyclopentyl 3-amino-4-fluorobenzoate?
The InChIKey is FZUMUQDIUJOKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-6-5-8(7-11(10)14)12(15)16-9-3-1-2-4-9/h5-7,9H,1-4,14H2.
What are the key properties of cyclopentyl 3-amino-4-fluorobenzoate?
cyclopentyl 3-amino-4-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 3-amino-4-fluorobenzoate is sourced from PubChem (CID 61279217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).