cyclopentylmethyl 2-fluoro-5-methylbenzoate

C14H17FO2 — CID 62958889

IUPACcyclopentylmethyl 2-fluoro-5-methylbenzoate
SMILESCc1ccc(F)c(C(=O)OCC2CCCC2)c1
InChIInChI=1S/C14H17FO2/c1-10-6-7-13(15)12(8-10)14(16)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyZIBDZBGLZDSWSN-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.48
Rot. Bonds3

About cyclopentylmethyl 2-fluoro-5-methylbenzoate

cyclopentylmethyl 2-fluoro-5-methylbenzoate (PubChem CID 62958889) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is cyclopentylmethyl 2-fluoro-5-methylbenzoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-fluoro-5-methylbenzoate
PubChem CID62958889
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Namecyclopentylmethyl 2-fluoro-5-methylbenzoate
SMILESCc1ccc(F)c(C(=O)OCC2CCCC2)c1
InChIInChI=1S/C14H17FO2/c1-10-6-7-13(15)12(8-10)14(16)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyZIBDZBGLZDSWSN-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl 2-fluoro-5-methylbenzoate
CID 62947219
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-one
CID 114970802
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclohexylmethyl 3-amino-4-fluorobenzoate
CID 61322434
cyclohexylmethyl 1,5-dimethylpyrrole-2-carboxylate
CID 55449216
2-cyclobutylethyl 5-chloro-2-fluorobenzoate
CID 106206623
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 2-fluoro-4-methylbenzoate
CID 164632430
cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate
CID 114088299
cyclopentylmethyl 4-amino-2-hydroxybenzoate
CID 66323288

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-fluoro-5-methylbenzoate?
The IUPAC name of cyclopentylmethyl 2-fluoro-5-methylbenzoate (CID 62958889) is cyclopentylmethyl 2-fluoro-5-methylbenzoate.
What is the SMILES notation for cyclopentylmethyl 2-fluoro-5-methylbenzoate?
The canonical SMILES for cyclopentylmethyl 2-fluoro-5-methylbenzoate is Cc1ccc(F)c(C(=O)OCC2CCCC2)c1.
What is the InChIKey of cyclopentylmethyl 2-fluoro-5-methylbenzoate?
The InChIKey is ZIBDZBGLZDSWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-10-6-7-13(15)12(8-10)14(16)17-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3.
What are the key properties of cyclopentylmethyl 2-fluoro-5-methylbenzoate?
cyclopentylmethyl 2-fluoro-5-methylbenzoate has a molecular weight of 236.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-fluoro-5-methylbenzoate is sourced from PubChem (CID 62958889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).