(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone

C15H11F3O3 — CID 102882225

IUPAC(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)cc(OC)cc2F)c(F)c1
InChIInChI=1S/C15H11F3O3/c1-20-8-3-4-10(11(16)5-8)15(19)14-12(17)6-9(21-2)7-13(14)18/h3-7H,1-2H3
InChIKeyPJBAMFHQGUVKED-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.35
Rot. Bonds4

About (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone

(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 102882225) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID102882225
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)cc(OC)cc2F)c(F)c1
InChIInChI=1S/C15H11F3O3/c1-20-8-3-4-10(11(16)5-8)15(19)14-12(17)6-9(21-2)7-13(14)18/h3-7H,1-2H3
InChIKeyPJBAMFHQGUVKED-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone (CID 102882225) is (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(F)cc(OC)cc2F)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is PJBAMFHQGUVKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c1-20-8-3-4-10(11(16)5-8)15(19)14-12(17)6-9(21-2)7-13(14)18/h3-7H,1-2H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 296.24 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 102882225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).