2-cyclobutylethyl 5-chloro-2-fluorobenzoate

C13H14ClFO2 — CID 106206623

IUPAC2-cyclobutylethyl 5-chloro-2-fluorobenzoate
SMILESO=C(OCCC1CCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H14ClFO2/c14-10-4-5-12(15)11(8-10)13(16)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2
InChIKeyVQDUICIMBUQZBR-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.83
Rot. Bonds4

About 2-cyclobutylethyl 5-chloro-2-fluorobenzoate

2-cyclobutylethyl 5-chloro-2-fluorobenzoate (PubChem CID 106206623) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-cyclobutylethyl 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name2-cyclobutylethyl 5-chloro-2-fluorobenzoate
PubChem CID106206623
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name2-cyclobutylethyl 5-chloro-2-fluorobenzoate
SMILESO=C(OCCC1CCC1)c1cc(Cl)ccc1F
InChIInChI=1S/C13H14ClFO2/c14-10-4-5-12(15)11(8-10)13(16)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2
InChIKeyVQDUICIMBUQZBR-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropylethyl 2-fluoro-5-sulfamoylbenzoate
CID 113246509
2-(2-cyclobutylethoxy)-1-(2,5-dichlorophenyl)ethanone
CID 106203267
2-cyclobutylethyl 5-amino-2-bromo-4-fluorobenzoate
CID 114157732
2-cyclobutylethyl 5-chlorosulfonyl-2,3-difluorobenzoate
CID 106206977
2-cyclobutylethyl 5-chloro-2-methyl-3-sulfamoylbenzoate
CID 106207164
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
heptyl 5-chloro-2-fluorobenzoate
CID 63840188
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
CID 54795643
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
2-cyclobutylethyl 3-amino-4-chlorobenzoate
CID 106202993
cyclopentylmethyl 2-fluoro-5-methylbenzoate
CID 62958889

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 5-chloro-2-fluorobenzoate?
The IUPAC name of 2-cyclobutylethyl 5-chloro-2-fluorobenzoate (CID 106206623) is 2-cyclobutylethyl 5-chloro-2-fluorobenzoate.
What is the SMILES notation for 2-cyclobutylethyl 5-chloro-2-fluorobenzoate?
The canonical SMILES for 2-cyclobutylethyl 5-chloro-2-fluorobenzoate is O=C(OCCC1CCC1)c1cc(Cl)ccc1F.
What is the InChIKey of 2-cyclobutylethyl 5-chloro-2-fluorobenzoate?
The InChIKey is VQDUICIMBUQZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c14-10-4-5-12(15)11(8-10)13(16)17-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 2-cyclobutylethyl 5-chloro-2-fluorobenzoate?
2-cyclobutylethyl 5-chloro-2-fluorobenzoate has a molecular weight of 256.70 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 106206623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).