[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone

C15H11F3O2 — CID 79736940

IUPAC[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2OC(F)F)ccc1F
InChIInChI=1S/C15H11F3O2/c1-9-8-10(6-7-12(9)16)14(19)11-4-2-3-5-13(11)20-15(17)18/h2-8,15H,1H3
InChIKeyXWXOZXMLSGYHIF-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.97
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone

[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone (PubChem CID 79736940) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone
PubChem CID79736940
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2OC(F)F)ccc1F
InChIInChI=1S/C15H11F3O2/c1-9-8-10(6-7-12(9)16)14(19)11-4-2-3-5-13(11)20-15(17)18/h2-8,15H,1H3
InChIKeyXWXOZXMLSGYHIF-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(difluoromethoxy)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 115787652
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 43339860
[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107515050
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
CID 114976117
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone (CID 79736940) is [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2ccccc2OC(F)F)ccc1F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is XWXOZXMLSGYHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-9-8-10(6-7-12(9)16)14(19)11-4-2-3-5-13(11)20-15(17)18/h2-8,15H,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone?
[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 280.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 79736940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).