1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene

C8Cl4F6O — CID 14250484

IUPAC1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1c(Cl)c(Cl)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8Cl4F6O/c9-2-1(7(13,14)15)3(10)6(5(12)4(2)11)19-8(16,17)18
InChIKeyYAXUVSKBDUAQQL-UHFFFAOYSA-N
MW367.89 g/mol
LogP6.22
Rot. Bonds1

About 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene

1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene (PubChem CID 14250484) has the molecular formula C8Cl4F6O and a molecular weight of 367.89 g/mol. Its IUPAC name is 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene
PubChem CID14250484
Molecular FormulaC8Cl4F6O
Molecular Weight367.89 g/mol
Exact Mass365.86
IUPAC Name1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1c(Cl)c(Cl)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8Cl4F6O/c9-2-1(7(13,14)15)3(10)6(5(12)4(2)11)19-8(16,17)18
InChIKeyYAXUVSKBDUAQQL-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.89
LogP ≤ 56.22
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

1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
CID 75406204
2,3,4,6-tetrachloro-5-(trifluoromethyl)phenol
CID 139943583
4-amino-2-chloro-3-(trifluoromethoxy)benzenethiol
CID 118850976
3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
1,2,3,4,5-pentachloro-6-[difluoro-(2,3,4-trifluorophenyl)methoxy]benzene
CID 57354953
1-chloro-3-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775479
1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 19102260
1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999624
6-chloro-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 133087757
3-chloro-1-(difluoromethoxy)-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171007850
1,3-dichloro-2,4,5-trifluoro-6-(trifluoromethyl)benzene
CID 71406765

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene?
The IUPAC name of 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene (CID 14250484) is 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene?
The canonical SMILES for 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene is FC(F)(F)Oc1c(Cl)c(Cl)c(Cl)c(C(F)(F)F)c1Cl.
What is the InChIKey of 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene?
The InChIKey is YAXUVSKBDUAQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl4F6O/c9-2-1(7(13,14)15)3(10)6(5(12)4(2)11)19-8(16,17)18.
What are the key properties of 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene?
1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene has a molecular weight of 367.89 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrachloro-4-(trifluoromethoxy)-6-(trifluoromethyl)benzene is sourced from PubChem (CID 14250484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).