1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene

C14H4F10O2 — CID 2833797

IUPAC1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
SMILESFc1c(F)c(F)c(OCCOc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H4F10O2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2
InChIKeyQSJVZCCLBKWTHH-UHFFFAOYSA-N
MW394.16 g/mol
LogP4.54
Rot. Bonds5

About 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene

1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene (PubChem CID 2833797) has the molecular formula C14H4F10O2 and a molecular weight of 394.16 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
PubChem CID2833797
Molecular FormulaC14H4F10O2
Molecular Weight394.16 g/mol
Exact Mass394.01
IUPAC Name1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
SMILESFc1c(F)c(F)c(OCCOc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H4F10O2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2
InChIKeyQSJVZCCLBKWTHH-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.16
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]silane
CID 91696456
1,2,3,4,5-pentafluoro-6-(2-propan-2-yloxyethoxy)benzene
CID 89251421
1,2,3,4,5-pentafluoro-6-(2-propoxyethoxy)benzene
CID 91691408
3-(2,3,4,5,6-pentafluorophenoxy)propylazanium
CID 7355967
dimethyl-bis[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]azanium
CID 155656975
3-(2,3,4,5,6-pentafluorophenoxy)propanal
CID 63039667
(2,3,4,5,6-pentafluorophenoxy)methanol
CID 87333321
N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-2-(2,3,5,6-tetrafluoro-4-methylphenoxy)ethanamine
CID 156647654
2-methoxy-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
CID 55092755
2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91710743
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644
1-amino-4-(2,3,4,5,6-pentafluorophenoxy)butan-2-ol
CID 64814642

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene (CID 2833797) is 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene is Fc1c(F)c(F)c(OCCOc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene?
The InChIKey is QSJVZCCLBKWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F10O2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene?
1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene has a molecular weight of 394.16 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene is sourced from PubChem (CID 2833797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).