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

C16H14F2O4 — CID 3320956

IUPAC2,3-bis(4-fluorophenoxy)-1,4-dioxane
SMILESFc1ccc(OC2OCCOC2Oc2ccc(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
InChIKeyLWLFNVVVVQUANV-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.12
Rot. Bonds4

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

2,3-bis(4-fluorophenoxy)-1,4-dioxane (PubChem CID 3320956) has the molecular formula C16H14F2O4 and a molecular weight of 308.28 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenoxy)-1,4-dioxane.

Molecular Properties

Compound Name2,3-bis(4-fluorophenoxy)-1,4-dioxane
PubChem CID3320956
Molecular FormulaC16H14F2O4
Molecular Weight308.28 g/mol
Exact Mass308.09
IUPAC Name2,3-bis(4-fluorophenoxy)-1,4-dioxane
SMILESFc1ccc(OC2OCCOC2Oc2ccc(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
InChIKeyLWLFNVVVVQUANV-UHFFFAOYSA-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

Analyze 2,3-bis(4-fluorophenoxy)-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2,3-bis(4-fluorophenoxy)-1,4-dioxane
CID 2331556
2,3-bis(4-methoxyphenoxy)-1,4-dioxane
CID 13494254
2,3-bis(4-tert-butylphenoxy)-1,4-dioxane
CID 3315925
4-[[(2S,3S)-3-(4-carboxyphenoxy)-1,4-dioxan-2-yl]oxy]benzoic acid
CID 2311273
4-(4-fluorophenoxy)oxolan-3-amine
CID 102571042
2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane
CID 67442762
(3R,4S,5S,6R)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90014619
(2S,4S,5S)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71182083
(4-fluorophenyl) hypobromite
CID 19745276
butyl 4-[[(2S,3S)-3-(4-butoxycarbonylphenoxy)-1,4-dioxan-2-yl]oxy]benzoate
CID 25358013
(2R,3R)-2,3-bis(2-phenylphenoxy)-1,4-dioxane
CID 2311165
(2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154699837

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenoxy)-1,4-dioxane?
The IUPAC name of 2,3-bis(4-fluorophenoxy)-1,4-dioxane (CID 3320956) is 2,3-bis(4-fluorophenoxy)-1,4-dioxane.
What is the SMILES notation for 2,3-bis(4-fluorophenoxy)-1,4-dioxane?
The canonical SMILES for 2,3-bis(4-fluorophenoxy)-1,4-dioxane is Fc1ccc(OC2OCCOC2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2,3-bis(4-fluorophenoxy)-1,4-dioxane?
The InChIKey is LWLFNVVVVQUANV-UHFFFAOYSA-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.
What are the key properties of 2,3-bis(4-fluorophenoxy)-1,4-dioxane?
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 2,3-bis(4-fluorophenoxy)-1,4-dioxane is sourced from PubChem (CID 3320956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).