1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene

C14H4F10O — CID 12954709

IUPAC1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene
SMILESFc1c(F)c(F)c(COCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H4F10O/c15-5-3(6(16)10(20)13(23)9(5)19)1-25-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2
InChIKeyJTIUZNMNFPZOKN-UHFFFAOYSA-N
MW378.17 g/mol
LogP4.79
Rot. Bonds4

About 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene

1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene (PubChem CID 12954709) has the molecular formula C14H4F10O and a molecular weight of 378.17 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene
PubChem CID12954709
Molecular FormulaC14H4F10O
Molecular Weight378.17 g/mol
Exact Mass378.01
IUPAC Name1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene
SMILESFc1c(F)c(F)c(COCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H4F10O/c15-5-3(6(16)10(20)13(23)9(5)19)1-25-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2
InChIKeyJTIUZNMNFPZOKN-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene (CID 12954709) is 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene is Fc1c(F)c(F)c(COCc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene?
The InChIKey is JTIUZNMNFPZOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F10O/c15-5-3(6(16)10(20)13(23)9(5)19)1-25-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene?
1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene has a molecular weight of 378.17 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)methoxymethyl]benzene is sourced from PubChem (CID 12954709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).