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

C14H6F8O2 — CID 134630267

IUPAC1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene
SMILESCOc1ccc(OC(F)(F)F)c(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C14H6F8O2/c1-23-5-2-3-7(24-14(20,21)22)6(4-5)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3
InChIKeySGSUCECNKYOOTQ-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.96
Rot. Bonds3

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

1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene (PubChem CID 134630267) has the molecular formula C14H6F8O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene
PubChem CID134630267
Molecular FormulaC14H6F8O2
Molecular Weight358.18 g/mol
Exact Mass358.02
IUPAC Name1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene
SMILESCOc1ccc(OC(F)(F)F)c(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C14H6F8O2/c1-23-5-2-3-7(24-14(20,21)22)6(4-5)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3
InChIKeySGSUCECNKYOOTQ-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-methoxy-2-(trifluoromethoxy)benzenethiol
CID 170998408
1-iodo-4-methoxy-2-(trifluoromethoxy)benzene
CID 53415973
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
4-methoxy-2-(2,3,4,5,6-pentafluorophenyl)benzenesulfonate
CID 57363236
methyl 4-methoxy-2-[2-(trifluoromethoxy)phenyl]benzoate
CID 134635550
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
[2-methoxy-5-(trifluoromethoxy)phenyl]azanide
CID 158966007
2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline
CID 172676520
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
4-fluoro-1-methoxy-2-[2-(trifluoromethoxy)phenyl]benzene
CID 134630084
1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene
CID 15536075
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene (CID 134630267) is 1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene is COc1ccc(OC(F)(F)F)c(-c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is SGSUCECNKYOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F8O2/c1-23-5-2-3-7(24-14(20,21)22)6(4-5)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene?
1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 358.18 g/mol, XLogP of 4.96, 3 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-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134630267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).