(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane

C24H18F4O6 — CID 2308866

IUPAC(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane
SMILESFc1c(F)c(Oc2ccccc2OC[C@H]2CO2)c(F)c(F)c1Oc1ccccc1OC[C@@H]1CO1
InChIInChI=1S/C24H18F4O6/c25-19-21(27)24(34-18-8-4-2-6-16(18)32-12-14-10-30-14)22(28)20(26)23(19)33-17-7-3-1-5-15(17)31-11-13-9-29-13/h1-8,13-14H,9-12H2/t13-,14+
InChIKeyCOVOZBLHOSCOBH-OKILXGFUSA-N
MW478.39 g/mol
LogP5.38
Rot. Bonds10

About (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane

(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane (PubChem CID 2308866) has the molecular formula C24H18F4O6 and a molecular weight of 478.39 g/mol. Its IUPAC name is (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane
PubChem CID2308866
Molecular FormulaC24H18F4O6
Molecular Weight478.39 g/mol
Exact Mass478.10
IUPAC Name(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane
SMILESFc1c(F)c(Oc2ccccc2OC[C@H]2CO2)c(F)c(F)c1Oc1ccccc1OC[C@@H]1CO1
InChIInChI=1S/C24H18F4O6/c25-19-21(27)24(34-18-8-4-2-6-16(18)32-12-14-10-30-14)22(28)20(26)23(19)33-17-7-3-1-5-15(17)31-11-13-9-29-13/h1-8,13-14H,9-12H2/t13-,14+
InChIKeyCOVOZBLHOSCOBH-OKILXGFUSA-N
XLogP5.38
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxirane
CID 101432995
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
trimethoxy-[2-(oxiran-2-ylmethoxy)phenyl]silane
CID 19099157
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806
2-[[2-(1,1,2-tribromopropan-2-yl)phenoxy]methyl]oxirane
CID 88693967
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane?
The IUPAC name of (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane (CID 2308866) is (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane.
What is the SMILES notation for (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane?
The canonical SMILES for (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane is Fc1c(F)c(Oc2ccccc2OC[C@H]2CO2)c(F)c(F)c1Oc1ccccc1OC[C@@H]1CO1.
What is the InChIKey of (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane?
The InChIKey is COVOZBLHOSCOBH-OKILXGFUSA-N. The full InChI is InChI=1S/C24H18F4O6/c25-19-21(27)24(34-18-8-4-2-6-16(18)32-12-14-10-30-14)22(28)20(26)23(19)33-17-7-3-1-5-15(17)31-11-13-9-29-13/h1-8,13-14H,9-12H2/t13-,14+.
What are the key properties of (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane?
(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane has a molecular weight of 478.39 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane is sourced from PubChem (CID 2308866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).