[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate

C18H10F6O6 — CID 153252588

IUPAC[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate
SMILESCOc1c(F)c(F)cc(C(=O)O/C=C/OC(=O)c2cc(F)c(F)c(OC)c2F)c1F
InChIInChI=1S/C18H10F6O6/c1-27-15-11(21)7(5-9(19)13(15)23)17(25)29-3-4-30-18(26)8-6-10(20)14(24)16(28-2)12(8)22/h3-6H,1-2H3/b4-3+
InChIKeyWTQAOFLUJKJFFR-ONEGZZNKSA-N
MW436.26 g/mol
LogP4.02
Rot. Bonds6

About [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate

[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate (PubChem CID 153252588) has the molecular formula C18H10F6O6 and a molecular weight of 436.26 g/mol. Its IUPAC name is [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate.

Molecular Properties

Compound Name[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate
PubChem CID153252588
Molecular FormulaC18H10F6O6
Molecular Weight436.26 g/mol
Exact Mass436.04
IUPAC Name[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate
SMILESCOc1c(F)c(F)cc(C(=O)O/C=C/OC(=O)c2cc(F)c(F)c(OC)c2F)c1F
InChIInChI=1S/C18H10F6O6/c1-27-15-11(21)7(5-9(19)13(15)23)17(25)29-3-4-30-18(26)8-6-10(20)14(24)16(28-2)12(8)22/h3-6H,1-2H3/b4-3+
InChIKeyWTQAOFLUJKJFFR-ONEGZZNKSA-N
XLogP4.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
4-hydroxybut-2-ynyl 2,4,5-trifluoro-3-methoxybenzoate
CID 87347665
triphenylstannyl 2,4,5-trifluoro-3-methoxybenzoate
CID 71425248
(3-methylphenyl) 2,4,5-trifluoro-3-methoxybenzoate
CID 91730444
2-hydroxyethyl 2,4,5-trifluoro-3-methoxybenzoate;methanesulfonic acid
CID 87347353
(2,4-dichloro-6-formylphenyl) 2,4,5-trifluoro-3-methoxybenzoate
CID 91730376
(2-aminocyclopropyl)-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 141049303
methyl 3-(dimethylamino)-2-(2,4,5-trifluoro-3-methoxybenzoyl)prop-2-enoate
CID 139822873
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
CID 102146515
CID 102146515
N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
CID 91730460
2,4,5-trifluoro-N-hexyl-3-methoxy-N-(2,4,5-trifluoro-3-methoxybenzoyl)benzamide
CID 91730464

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate?
The IUPAC name of [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate (CID 153252588) is [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate.
What is the SMILES notation for [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate?
The canonical SMILES for [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate is COc1c(F)c(F)cc(C(=O)O/C=C/OC(=O)c2cc(F)c(F)c(OC)c2F)c1F.
What is the InChIKey of [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate?
The InChIKey is WTQAOFLUJKJFFR-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H10F6O6/c1-27-15-11(21)7(5-9(19)13(15)23)17(25)29-3-4-30-18(26)8-6-10(20)14(24)16(28-2)12(8)22/h3-6H,1-2H3/b4-3+.
What are the key properties of [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate?
[(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate has a molecular weight of 436.26 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2,4,5-trifluoro-3-methoxybenzoyl)oxyethenyl] 2,4,5-trifluoro-3-methoxybenzoate is sourced from PubChem (CID 153252588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).