cyclopentyl 4-fluorobenzoate

C12H13FO2 — CID 579482

IUPACcyclopentyl 4-fluorobenzoate
SMILESO=C(OC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-10-7-5-9(6-8-10)12(14)15-11-3-1-2-4-11/h5-8,11H,1-4H2
InChIKeyPIXOINRRUPTNRP-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.93
Rot. Bonds2

About cyclopentyl 4-fluorobenzoate

cyclopentyl 4-fluorobenzoate (PubChem CID 579482) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is cyclopentyl 4-fluorobenzoate.

Molecular Properties

Compound Namecyclopentyl 4-fluorobenzoate
PubChem CID579482
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Namecyclopentyl 4-fluorobenzoate
SMILESO=C(OC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-10-7-5-9(6-8-10)12(14)15-11-3-1-2-4-11/h5-8,11H,1-4H2
InChIKeyPIXOINRRUPTNRP-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl 4-fluorobenzoate
CID 126986458
piperidin-4-yl 4-fluorobenzoate
CID 22921983
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
CID 844358
(1-methylpiperidin-1-ium-4-yl) 4-fluorobenzoate
CID 7283235
oxolan-3-yl 4-fluorobenzoate
CID 63663417
cyclobutyl 3,4-difluorobenzoate
CID 174934695
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-fluorobenzoate
CID 5147770
cyclododecyl 4-acetamidobenzoate
CID 3973983
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-fluorobenzoate?
The IUPAC name of cyclopentyl 4-fluorobenzoate (CID 579482) is cyclopentyl 4-fluorobenzoate.
What is the SMILES notation for cyclopentyl 4-fluorobenzoate?
The canonical SMILES for cyclopentyl 4-fluorobenzoate is O=C(OC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of cyclopentyl 4-fluorobenzoate?
The InChIKey is PIXOINRRUPTNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-10-7-5-9(6-8-10)12(14)15-11-3-1-2-4-11/h5-8,11H,1-4H2.
What are the key properties of cyclopentyl 4-fluorobenzoate?
cyclopentyl 4-fluorobenzoate has a molecular weight of 208.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-fluorobenzoate is sourced from PubChem (CID 579482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).