1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene

C14H18F4O2 — CID 22625262

IUPAC1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1c(F)c(F)c(F)c(F)c1OC(C)(C)C
InChIInChI=1S/C14H18F4O2/c1-13(2,3)19-11-9(17)7(15)8(16)10(18)12(11)20-14(4,5)6/h1-6H3
InChIKeyQIVTYBYAOIZVJM-UHFFFAOYSA-N
MW294.29 g/mol
LogP4.60
Rot. Bonds2

About 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene

1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 22625262) has the molecular formula C14H18F4O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene
PubChem CID22625262
Molecular FormulaC14H18F4O2
Molecular Weight294.29 g/mol
Exact Mass294.12
IUPAC Name1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1c(F)c(F)c(F)c(F)c1OC(C)(C)C
InChIInChI=1S/C14H18F4O2/c1-13(2,3)19-11-9(17)7(15)8(16)10(18)12(11)20-14(4,5)6/h1-6H3
InChIKeyQIVTYBYAOIZVJM-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 54.60
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

1,2-Difluoro-4,5-dimethoxybenzene
CID 853175
5,6,7,8-Tetrafluorobenzo-1,4-dioxane
CID 2776587
tert-Butyl 2-methoxyphenyl ether
CID 13546287
Pentafluorophenyl 2-methyl-but-3-en-2-yl ether
CID 21730809
1-Ethoxy-2,3,4,5,6-pentafluorobenzene
CID 12664036
1-(tert-Butoxy)-2,3,4,5,6-pentafluorobenzene
CID 14322641
1,2,3,4,5-Pentafluoro-6-(2(vinyloxy)ethoxy)benzene
CID 22709024
Tetrafluorodimethoxybenzene
CID 85910977
1-Butoxy-2,3,4,5,6-pentafluorobenzene
CID 14775650
1,2,3,4,5-Pentafluoro-6-hexoxybenzene
CID 19820103
1,2,3,4,5-Pentafluoro-6-pentoxybenzene
CID 20825217
4-Fluoro-2-methoxyphenol, 2-methylpropyl ether
CID 54188300

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene (CID 22625262) is 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1c(F)c(F)c(F)c(F)c1OC(C)(C)C.
What is the InChIKey of 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is QIVTYBYAOIZVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O2/c1-13(2,3)19-11-9(17)7(15)8(16)10(18)12(11)20-14(4,5)6/h1-6H3.
What are the key properties of 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene?
1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 294.29 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 22625262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).