1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene

C20H14F4O4 — CID 1380018

IUPAC1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
SMILESCOc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2OC)c(F)c1F
InChIInChI=1S/C20H14F4O4/c1-25-11-7-3-5-9-13(11)27-19-15(21)17(23)20(18(24)16(19)22)28-14-10-6-4-8-12(14)26-2/h3-10H,1-2H3
InChIKeyFUDIGUGQVGDUQP-UHFFFAOYSA-N
MW394.32 g/mol
LogP5.84
Rot. Bonds6

About 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene

1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene (PubChem CID 1380018) has the molecular formula C20H14F4O4 and a molecular weight of 394.32 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
PubChem CID1380018
Molecular FormulaC20H14F4O4
Molecular Weight394.32 g/mol
Exact Mass394.08
IUPAC Name1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene
SMILESCOc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2OC)c(F)c1F
InChIInChI=1S/C20H14F4O4/c1-25-11-7-3-5-9-13(11)27-19-15(21)17(23)20(18(24)16(19)22)28-14-10-6-4-8-12(14)26-2/h3-10H,1-2H3
InChIKeyFUDIGUGQVGDUQP-UHFFFAOYSA-N
XLogP5.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.32
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
2-[4-(2-aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline;dihydrochloride
CID 50944455
4-[3-[2,3,5,6-tetrafluoro-4-(2-methoxyphenoxy)phenyl]prop-2-enyl]morpholine;hydrochloride
CID 2990449
4-[2-(4-amino-2,3,5-trifluoro-6-methylphenoxy)phenoxy]-2,3,6-trifluoro-5-methylaniline
CID 22058912
2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2-hydroxyphenoxy)phenyl]phenoxy]phenol
CID 3092907
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
2-(2-methoxyphenoxy)-3-methylaniline
CID 115550846
trimethyl-[[2-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]methyl]azanium
CID 132540065
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
3-methoxy-6-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 126492825

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene (CID 1380018) is 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene is COc1ccccc1Oc1c(F)c(F)c(Oc2ccccc2OC)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene?
The InChIKey is FUDIGUGQVGDUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4O4/c1-25-11-7-3-5-9-13(11)27-19-15(21)17(23)20(18(24)16(19)22)28-14-10-6-4-8-12(14)26-2/h3-10H,1-2H3.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene?
1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene has a molecular weight of 394.32 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-bis(2-methoxyphenoxy)benzene is sourced from PubChem (CID 1380018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).