1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene

C14F14O — CID 174560482

IUPAC1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene
SMILESFc1c(F)c(Oc2c(F)c(F)c(F)c(C(F)(F)F)c2F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C14F14O/c15-3-1(13(23,24)25)5(17)11(9(21)7(3)19)29-12-6(18)2(14(26,27)28)4(16)8(20)10(12)22
InChIKeyGDYPPHYUYFMGED-UHFFFAOYSA-N
MW450.13 g/mol
LogP6.63
Rot. Bonds2

About 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene

1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene (PubChem CID 174560482) has the molecular formula C14F14O and a molecular weight of 450.13 g/mol. Its IUPAC name is 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene
PubChem CID174560482
Molecular FormulaC14F14O
Molecular Weight450.13 g/mol
Exact Mass449.97
IUPAC Name1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene
SMILESFc1c(F)c(Oc2c(F)c(F)c(F)c(C(F)(F)F)c2F)c(F)c(C(F)(F)F)c1F
InChIInChI=1S/C14F14O/c15-3-1(13(23,24)25)5(17)11(9(21)7(3)19)29-12-6(18)2(14(26,27)28)4(16)8(20)10(12)22
InChIKeyGDYPPHYUYFMGED-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.13
LogP ≤ 56.63
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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Related Compounds

2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]benzamide
CID 101118820
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025
1-tert-butyl-4-(4-tert-butyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzene
CID 122472031
1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]methyl]benzene
CID 15210912
1,2,3,4,5,6,8-heptafluoro-7-(trifluoromethyl)naphthalene
CID 4313794
1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 155045911
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 177256045
[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
CID 154500712
1-[2,2-difluoro-2-(fluoromethoxy)ethoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 88857732
5-[5-[5-amino-2,3,4-trifluoro-6-(trifluoromethyl)phenoxy]-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,3,4-trifluoro-6-(trifluoromethyl)aniline
CID 139795392
1,3,5-trifluoro-2-[2,4,6-trifluoro-3,5-bis(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)benzene
CID 178120433
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
CID 90973259

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene?
The IUPAC name of 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene (CID 174560482) is 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene is Fc1c(F)c(Oc2c(F)c(F)c(F)c(C(F)(F)F)c2F)c(F)c(C(F)(F)F)c1F.
What is the InChIKey of 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene?
The InChIKey is GDYPPHYUYFMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14F14O/c15-3-1(13(23,24)25)5(17)11(9(21)7(3)19)29-12-6(18)2(14(26,27)28)4(16)8(20)10(12)22.
What are the key properties of 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene?
1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene has a molecular weight of 450.13 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene is sourced from PubChem (CID 174560482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).