2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin

C12H3Cl4FO2 — CID 54094569

IUPAC2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin
SMILESFc1c(Cl)c(Cl)c(Cl)c2c1Oc1cccc(Cl)c1O2
InChIInChI=1S/C12H3Cl4FO2/c13-4-2-1-3-5-10(4)19-11-8(16)6(14)7(15)9(17)12(11)18-5/h1-3H
InChIKeyMWFBFRNTXMVMDW-UHFFFAOYSA-N
MW339.96 g/mol
LogP6.34
Rot. Bonds

About 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin

2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin (PubChem CID 54094569) has the molecular formula C12H3Cl4FO2 and a molecular weight of 339.96 g/mol. Its IUPAC name is 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin.

Molecular Properties

Compound Name2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin
PubChem CID54094569
Molecular FormulaC12H3Cl4FO2
Molecular Weight339.96 g/mol
Exact Mass337.89
IUPAC Name2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin
SMILESFc1c(Cl)c(Cl)c(Cl)c2c1Oc1cccc(Cl)c1O2
InChIInChI=1S/C12H3Cl4FO2/c13-4-2-1-3-5-10(4)19-11-8(16)6(14)7(15)9(17)12(11)18-5/h1-3H
InChIKeyMWFBFRNTXMVMDW-UHFFFAOYSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.96
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 67418220
1,2,3,4-tetrachloro-6-fluorodibenzo-p-dioxin
CID 21121948
1,4-dioxine;1,2,3,4-tetrachlorodibenzo-p-dioxin
CID 66898767
4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine
CID 67892811
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1-chloro-2,3-difluorobenzene
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3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
1,9-dichloro-8-oxido-8,14-dihydrochromeno[2,3-c]phenoxazin-8-ium-14-ol
CID 163426983
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
1,3,6-trifluorodibenzo-p-dioxin
CID 86179906
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
(4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945891

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin?
The IUPAC name of 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin (CID 54094569) is 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin.
What is the SMILES notation for 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin?
The canonical SMILES for 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin is Fc1c(Cl)c(Cl)c(Cl)c2c1Oc1cccc(Cl)c1O2.
What is the InChIKey of 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin?
The InChIKey is MWFBFRNTXMVMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Cl4FO2/c13-4-2-1-3-5-10(4)19-11-8(16)6(14)7(15)9(17)12(11)18-5/h1-3H.
What are the key properties of 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin?
2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin has a molecular weight of 339.96 g/mol, XLogP of 6.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrachloro-1-fluorodibenzo-p-dioxin is sourced from PubChem (CID 54094569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).