1,2,4,5-tetrafluoro-3,6-diphenoxybenzene

C18H10F4O2 — CID 679714

IUPAC1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
SMILESFc1c(F)c(Oc2ccccc2)c(F)c(F)c1Oc1ccccc1
InChIInChI=1S/C18H10F4O2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H
InChIKeyMNAJWJZQFYICRV-UHFFFAOYSA-N
MW334.27 g/mol
LogP5.83
Rot. Bonds4

About 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene

1,2,4,5-tetrafluoro-3,6-diphenoxybenzene (PubChem CID 679714) has the molecular formula C18H10F4O2 and a molecular weight of 334.27 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
PubChem CID679714
Molecular FormulaC18H10F4O2
Molecular Weight334.27 g/mol
Exact Mass334.06
IUPAC Name1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
SMILESFc1c(F)c(Oc2ccccc2)c(F)c(F)c1Oc1ccccc1
InChIInChI=1S/C18H10F4O2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H
InChIKeyMNAJWJZQFYICRV-UHFFFAOYSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.27
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,4,6-trifluoro-5-phenoxyphenol
CID 91430615
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
CID 178069232
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
1-N,4-N-diphenyl-1-N,4-N-bis[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]benzene-1,4-diamine
CID 138724935
N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
CID 21205042
1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene
CID 29052620
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
1,2-difluoro-3-phenoxy-4-propan-2-ylbenzene
CID 154591370

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene (CID 679714) is 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene is Fc1c(F)c(Oc2ccccc2)c(F)c(F)c1Oc1ccccc1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene?
The InChIKey is MNAJWJZQFYICRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4O2/c19-13-15(21)18(24-12-9-5-2-6-10-12)16(22)14(20)17(13)23-11-7-3-1-4-8-11/h1-10H.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene?
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene has a molecular weight of 334.27 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-diphenoxybenzene is sourced from PubChem (CID 679714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).