2,2-difluoro-1-thiophen-2-ylethanone

C6H4F2OS — CID 11435114

IUPAC2,2-difluoro-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(F)F
InChIInChI=1S/C6H4F2OS/c7-6(8)5(9)4-2-1-3-10-4/h1-3,6H
InChIKeyKKCYEHQMOZGAMC-UHFFFAOYSA-N
MW162.16 g/mol
LogP2.20
Rot. Bonds2

About 2,2-difluoro-1-thiophen-2-ylethanone

2,2-difluoro-1-thiophen-2-ylethanone (PubChem CID 11435114) has the molecular formula C6H4F2OS and a molecular weight of 162.16 g/mol. Its IUPAC name is 2,2-difluoro-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-thiophen-2-ylethanone
PubChem CID11435114
Molecular FormulaC6H4F2OS
Molecular Weight162.16 g/mol
Exact Mass162.00
IUPAC Name2,2-difluoro-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(F)F
InChIInChI=1S/C6H4F2OS/c7-6(8)5(9)4-2-1-3-10-4/h1-3,6H
InChIKeyKKCYEHQMOZGAMC-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-thiophen-2-ylethanone?
The IUPAC name of 2,2-difluoro-1-thiophen-2-ylethanone (CID 11435114) is 2,2-difluoro-1-thiophen-2-ylethanone.
What is the SMILES notation for 2,2-difluoro-1-thiophen-2-ylethanone?
The canonical SMILES for 2,2-difluoro-1-thiophen-2-ylethanone is O=C(c1cccs1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-thiophen-2-ylethanone?
The InChIKey is KKCYEHQMOZGAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2OS/c7-6(8)5(9)4-2-1-3-10-4/h1-3,6H.
What are the key properties of 2,2-difluoro-1-thiophen-2-ylethanone?
2,2-difluoro-1-thiophen-2-ylethanone has a molecular weight of 162.16 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-thiophen-2-ylethanone is sourced from PubChem (CID 11435114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).