2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone

C7H6F2O2S — CID 103513670

IUPAC2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1ccsc1C(=O)C(F)F
InChIInChI=1S/C7H6F2O2S/c1-11-4-2-3-12-6(4)5(10)7(8)9/h2-3,7H,1H3
InChIKeyBGULTMYXPWUAPN-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.20
Rot. Bonds3

About 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone

2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone (PubChem CID 103513670) has the molecular formula C7H6F2O2S and a molecular weight of 192.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
PubChem CID103513670
Molecular FormulaC7H6F2O2S
Molecular Weight192.19 g/mol
Exact Mass192.01
IUPAC Name2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1ccsc1C(=O)C(F)F
InChIInChI=1S/C7H6F2O2S/c1-11-4-2-3-12-6(4)5(10)7(8)9/h2-3,7H,1H3
InChIKeyBGULTMYXPWUAPN-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone (CID 103513670) is 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone is COc1ccsc1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone?
The InChIKey is BGULTMYXPWUAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2S/c1-11-4-2-3-12-6(4)5(10)7(8)9/h2-3,7H,1H3.
What are the key properties of 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone?
2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone has a molecular weight of 192.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone is sourced from PubChem (CID 103513670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).