oxolan-3-yl 4-fluorobenzoate

C11H11FO3 — CID 63663417

IUPACoxolan-3-yl 4-fluorobenzoate
SMILESO=C(OC1CCOC1)c1ccc(F)cc1
InChIInChI=1S/C11H11FO3/c12-9-3-1-8(2-4-9)11(13)15-10-5-6-14-7-10/h1-4,10H,5-7H2
InChIKeyYVHQWCMTPQFGBT-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.77
Rot. Bonds2

About oxolan-3-yl 4-fluorobenzoate

oxolan-3-yl 4-fluorobenzoate (PubChem CID 63663417) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is oxolan-3-yl 4-fluorobenzoate.

Molecular Properties

Compound Nameoxolan-3-yl 4-fluorobenzoate
PubChem CID63663417
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Nameoxolan-3-yl 4-fluorobenzoate
SMILESO=C(OC1CCOC1)c1ccc(F)cc1
InChIInChI=1S/C11H11FO3/c12-9-3-1-8(2-4-9)11(13)15-10-5-6-14-7-10/h1-4,10H,5-7H2
InChIKeyYVHQWCMTPQFGBT-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-fluorobenzoate?
The IUPAC name of oxolan-3-yl 4-fluorobenzoate (CID 63663417) is oxolan-3-yl 4-fluorobenzoate.
What is the SMILES notation for oxolan-3-yl 4-fluorobenzoate?
The canonical SMILES for oxolan-3-yl 4-fluorobenzoate is O=C(OC1CCOC1)c1ccc(F)cc1.
What is the InChIKey of oxolan-3-yl 4-fluorobenzoate?
The InChIKey is YVHQWCMTPQFGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-9-3-1-8(2-4-9)11(13)15-10-5-6-14-7-10/h1-4,10H,5-7H2.
What are the key properties of oxolan-3-yl 4-fluorobenzoate?
oxolan-3-yl 4-fluorobenzoate has a molecular weight of 210.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-fluorobenzoate is sourced from PubChem (CID 63663417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).