(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone

C12H8F2O2S — CID 81118838

IUPAC(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C12H8F2O2S/c1-16-9-5-6-17-12(9)11(15)10-7(13)3-2-4-8(10)14/h2-6H,1H3
InChIKeyXYJQDSXWRQIEIR-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.27
Rot. Bonds3

About (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone

(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81118838) has the molecular formula C12H8F2O2S and a molecular weight of 254.26 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81118838
Molecular FormulaC12H8F2O2S
Molecular Weight254.26 g/mol
Exact Mass254.02
IUPAC Name(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C12H8F2O2S/c1-16-9-5-6-17-12(9)11(15)10-7(13)3-2-4-8(10)14/h2-6H,1H3
InChIKeyXYJQDSXWRQIEIR-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone (CID 81118838) is (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is XYJQDSXWRQIEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2S/c1-16-9-5-6-17-12(9)11(15)10-7(13)3-2-4-8(10)14/h2-6H,1H3.
What are the key properties of (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone?
(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 254.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81118838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).