[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone

C13H10F2O2S — CID 114976117

IUPAC[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccccc2OC(F)F)cs1
InChIInChI=1S/C13H10F2O2S/c1-8-6-9(7-18-8)12(16)10-4-2-3-5-11(10)17-13(14)15/h2-7,13H,1H3
InChIKeyQGAICEWNXRDEFC-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.89
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone

[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone (PubChem CID 114976117) has the molecular formula C13H10F2O2S and a molecular weight of 268.28 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
PubChem CID114976117
Molecular FormulaC13H10F2O2S
Molecular Weight268.28 g/mol
Exact Mass268.04
IUPAC Name[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccccc2OC(F)F)cs1
InChIInChI=1S/C13H10F2O2S/c1-8-6-9(7-18-8)12(16)10-4-2-3-5-11(10)17-13(14)15/h2-7,13H,1H3
InChIKeyQGAICEWNXRDEFC-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 115787652
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870
[2-(difluoromethoxy)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 79736940
(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976064
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 43339860
[2-(difluoromethoxy)phenyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107515050
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
[2-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methanone
CID 43337454
[2-(difluoromethoxy)phenyl]-(2,4-difluorophenyl)methanone
CID 43337704
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
[2-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanone
CID 43338849

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone (CID 114976117) is [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccccc2OC(F)F)cs1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone?
The InChIKey is QGAICEWNXRDEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2S/c1-8-6-9(7-18-8)12(16)10-4-2-3-5-11(10)17-13(14)15/h2-7,13H,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone?
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone has a molecular weight of 268.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114976117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).