1-(1-benzothiophen-3-yl)-2,2-difluoroethanone

C10H6F2OS — CID 103513579

IUPAC1-(1-benzothiophen-3-yl)-2,2-difluoroethanone
SMILESO=C(c1csc2ccccc12)C(F)F
InChIInChI=1S/C10H6F2OS/c11-10(12)9(13)7-5-14-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyXYAXRDYMQMERNO-UHFFFAOYSA-N
MW212.22 g/mol
LogP3.35
Rot. Bonds2

About 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone

1-(1-benzothiophen-3-yl)-2,2-difluoroethanone (PubChem CID 103513579) has the molecular formula C10H6F2OS and a molecular weight of 212.22 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2,2-difluoroethanone
PubChem CID103513579
Molecular FormulaC10H6F2OS
Molecular Weight212.22 g/mol
Exact Mass212.01
IUPAC Name1-(1-benzothiophen-3-yl)-2,2-difluoroethanone
SMILESO=C(c1csc2ccccc12)C(F)F
InChIInChI=1S/C10H6F2OS/c11-10(12)9(13)7-5-14-8-4-2-1-3-6(7)8/h1-5,10H
InChIKeyXYAXRDYMQMERNO-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone (CID 103513579) is 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone is O=C(c1csc2ccccc12)C(F)F.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone?
The InChIKey is XYAXRDYMQMERNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2OS/c11-10(12)9(13)7-5-14-8-4-2-1-3-6(7)8/h1-5,10H.
What are the key properties of 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone?
1-(1-benzothiophen-3-yl)-2,2-difluoroethanone has a molecular weight of 212.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2,2-difluoroethanone is sourced from PubChem (CID 103513579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).