(2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane

C16H14F2O4 — CID 2331556

IUPAC(2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane
SMILESFc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H14F2O4/c17-11-1-5-13(6-2-11)21-15-16(20-10-9-19-15)22-14-7-3-12(18)4-8-14/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
InChIKeyLWLFNVVVVQUANV-HZPDHXFCSA-N
MW308.28 g/mol
LogP3.12
Rot. Bonds4

About (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane

(2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane (PubChem CID 2331556) has the molecular formula C16H14F2O4 and a molecular weight of 308.28 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane
PubChem CID2331556
Molecular FormulaC16H14F2O4
Molecular Weight308.28 g/mol
Exact Mass308.09
IUPAC Name(2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane
SMILESFc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H14F2O4/c17-11-1-5-13(6-2-11)21-15-16(20-10-9-19-15)22-14-7-3-12(18)4-8-14/h1-8,15-16H,9-10H2/t15-,16-/m1/s1
InChIKeyLWLFNVVVVQUANV-HZPDHXFCSA-N
XLogP3.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane?
The IUPAC name of (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane (CID 2331556) is (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane.
What is the SMILES notation for (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane?
The canonical SMILES for (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane is Fc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane?
The InChIKey is LWLFNVVVVQUANV-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H14F2O4/c17-11-1-5-13(6-2-11)21-15-16(20-10-9-19-15)22-14-7-3-12(18)4-8-14/h1-8,15-16H,9-10H2/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane?
(2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane has a molecular weight of 308.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane is sourced from PubChem (CID 2331556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).