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

C15H10F4O2 — CID 107515050

IUPAC[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2OC(F)F)c(F)c1F
InChIInChI=1S/C15H10F4O2/c1-8-6-7-10(13(17)12(8)16)14(20)9-4-2-3-5-11(9)21-15(18)19/h2-7,15H,1H3
InChIKeyYHHUNJJQMHMILN-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.11
Rot. Bonds4

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

[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone (PubChem CID 107515050) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
PubChem CID107515050
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2OC(F)F)c(F)c1F
InChIInChI=1S/C15H10F4O2/c1-8-6-7-10(13(17)12(8)16)14(20)9-4-2-3-5-11(9)21-15(18)19/h2-7,15H,1H3
InChIKeyYHHUNJJQMHMILN-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 106764270
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 79736940
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
[2-(difluoromethoxy)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 115787652
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
CID 114976117
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 105398427
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone (CID 107515050) is [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccccc2OC(F)F)c(F)c1F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone?
The InChIKey is YHHUNJJQMHMILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c1-8-6-7-10(13(17)12(8)16)14(20)9-4-2-3-5-11(9)21-15(18)19/h2-7,15H,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone?
[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone has a molecular weight of 298.24 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone is sourced from PubChem (CID 107515050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).