(4,4-difluorooxolan-3-yl) benzoate

C11H10F2O3 — CID 152635930

IUPAC(4,4-difluorooxolan-3-yl) benzoate
SMILESO=C(OC1COCC1(F)F)c1ccccc1
InChIInChI=1S/C11H10F2O3/c12-11(13)7-15-6-9(11)16-10(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyZENLAYBYRKANRU-UHFFFAOYSA-N
MW228.19 g/mol
LogP1.88
Rot. Bonds2

About (4,4-difluorooxolan-3-yl) benzoate

(4,4-difluorooxolan-3-yl) benzoate (PubChem CID 152635930) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is (4,4-difluorooxolan-3-yl) benzoate.

Molecular Properties

Compound Name(4,4-difluorooxolan-3-yl) benzoate
PubChem CID152635930
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name(4,4-difluorooxolan-3-yl) benzoate
SMILESO=C(OC1COCC1(F)F)c1ccccc1
InChIInChI=1S/C11H10F2O3/c12-11(13)7-15-6-9(11)16-10(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyZENLAYBYRKANRU-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 70003334
[(3S,3aR,6R,6aR)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
CID 90257226
[(1R,3S)-4,4-difluoro-3-methoxycyclohexyl] benzoate
CID 168761875
[(1S,4R)-4-benzoyloxycyclohex-2-en-1-yl] benzoate
CID 10990891
(4-benzoyloxycyclohex-2-en-1-yl) benzoate;methane
CID 161382520
[(3R,4R)-4-phenyloxolan-3-yl] benzoate
CID 126600996
[(E)-2-(2,2-difluorocyclopropyl)ethenyl] benzoate
CID 162574363
[(3R)-4-hydroxyoxan-3-yl] benzoate
CID 155182025
1,4-oxathian-3-yl benzoate
CID 122377399
[(1R,2S,3R,4S,5S,6R)-2-benzoyloxy-3,4,5,6-tetrahydroxycyclohexyl] benzoate
CID 11090365
[(2S,3R,4R,5R)-2-chloro-4,5-dihydroxyoxan-3-yl] benzoate
CID 67675297

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorooxolan-3-yl) benzoate?
The IUPAC name of (4,4-difluorooxolan-3-yl) benzoate (CID 152635930) is (4,4-difluorooxolan-3-yl) benzoate.
What is the SMILES notation for (4,4-difluorooxolan-3-yl) benzoate?
The canonical SMILES for (4,4-difluorooxolan-3-yl) benzoate is O=C(OC1COCC1(F)F)c1ccccc1.
What is the InChIKey of (4,4-difluorooxolan-3-yl) benzoate?
The InChIKey is ZENLAYBYRKANRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c12-11(13)7-15-6-9(11)16-10(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of (4,4-difluorooxolan-3-yl) benzoate?
(4,4-difluorooxolan-3-yl) benzoate has a molecular weight of 228.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorooxolan-3-yl) benzoate is sourced from PubChem (CID 152635930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).