1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene

C14F14O — CID 21397504

IUPAC1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(F)OC(F)(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14F14O/c15-3-1(4(16)8(20)11(23)7(3)19)13(25,26)29-14(27,28)2-5(17)9(21)12(24)10(22)6(2)18
InChIKeyRWXIUUBGKUNHAF-UHFFFAOYSA-N
MW450.13 g/mol
LogP5.89
Rot. Bonds4

About 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene

1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene (PubChem CID 21397504) has the molecular formula C14F14O and a molecular weight of 450.13 g/mol. Its IUPAC name is 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene
PubChem CID21397504
Molecular FormulaC14F14O
Molecular Weight450.13 g/mol
Exact Mass449.97
IUPAC Name1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C(F)(F)OC(F)(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14F14O/c15-3-1(4(16)8(20)11(23)7(3)19)13(25,26)29-14(27,28)2-5(17)9(21)12(24)10(22)6(2)18
InChIKeyRWXIUUBGKUNHAF-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.13
LogP ≤ 55.89
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-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene (CID 21397504) is 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C(F)(F)OC(F)(F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene?
The InChIKey is RWXIUUBGKUNHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F14O/c15-3-1(4(16)8(20)11(23)7(3)19)13(25,26)29-14(27,28)2-5(17)9(21)12(24)10(22)6(2)18.
What are the key properties of 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene?
1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene has a molecular weight of 450.13 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methoxy]-difluoromethyl]-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 21397504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).