1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene

C14H3F11O2 — CID 177164134

IUPAC1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1c(F)c(F)c(-c2c(F)c(F)c(OC(F)(F)F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H3F11O2/c1-26-12-8(19)4(15)2(5(16)9(12)20)3-6(17)10(21)13(11(22)7(3)18)27-14(23,24)25/h1H3
InChIKeyILQYTYUZDJHVCV-UHFFFAOYSA-N
MW412.15 g/mol
LogP5.37
Rot. Bonds3

About 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene

1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene (PubChem CID 177164134) has the molecular formula C14H3F11O2 and a molecular weight of 412.15 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene
PubChem CID177164134
Molecular FormulaC14H3F11O2
Molecular Weight412.15 g/mol
Exact Mass412.00
IUPAC Name1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene
SMILESCOc1c(F)c(F)c(-c2c(F)c(F)c(OC(F)(F)F)c(F)c2F)c(F)c1F
InChIInChI=1S/C14H3F11O2/c1-26-12-8(19)4(15)2(5(16)9(12)20)3-6(17)10(21)13(11(22)7(3)18)27-14(23,24)25/h1H3
InChIKeyILQYTYUZDJHVCV-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.15
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
CID 87458041
1,4-difluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87457317
1,2,3,4,6,7-hexafluoro-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-8-(2,3,5,6-tetrafluoro-4-methoxyphenyl)naphthalene
CID 177164200
1,2,3,4,6-pentafluoro-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-9-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428315
1,2-dichloro-3,4,6-trifluoro-5-methoxybenzene
CID 71389282
1-[2-(4-ethylcyclohexyl)ethyl]-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)benzene
CID 123618433
1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
CID 118068021
1,2,4,5-tetrafluoro-3-methoxy-6-[2-(trifluoromethylsulfonyl)phenyl]benzene
CID 173335169
3-bromo-5-fluoro-2-methoxy-4-(trifluoromethoxy)aniline
CID 98041889
1,2,3,4-tetrafluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 87428777
(2,3,5,6-tetrafluoro-4-methoxyphenyl) 2,2-dimethylpropanoate
CID 130411288
1,5-dibromo-2,3-difluoro-4-(trifluoromethoxy)benzene
CID 118807728

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene (CID 177164134) is 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene is COc1c(F)c(F)c(-c2c(F)c(F)c(OC(F)(F)F)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is ILQYTYUZDJHVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H3F11O2/c1-26-12-8(19)4(15)2(5(16)9(12)20)3-6(17)10(21)13(11(22)7(3)18)27-14(23,24)25/h1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene?
1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 412.15 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 177164134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).