2-(trifluoromethylsulfonyl)furan

C5H3F3O3S — CID 13183070

IUPAC2-(trifluoromethylsulfonyl)furan
SMILESO=S(=O)(c1ccco1)C(F)(F)F
InChIInChI=1S/C5H3F3O3S/c6-5(7,8)12(9,10)4-2-1-3-11-4/h1-3H
InChIKeyNPNMVAYJXXMZGM-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.57
Rot. Bonds1

About 2-(trifluoromethylsulfonyl)furan

2-(trifluoromethylsulfonyl)furan (PubChem CID 13183070) has the molecular formula C5H3F3O3S and a molecular weight of 200.14 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)furan.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)furan
PubChem CID13183070
Molecular FormulaC5H3F3O3S
Molecular Weight200.14 g/mol
Exact Mass199.98
IUPAC Name2-(trifluoromethylsulfonyl)furan
SMILESO=S(=O)(c1ccco1)C(F)(F)F
InChIInChI=1S/C5H3F3O3S/c6-5(7,8)12(9,10)4-2-1-3-11-4/h1-3H
InChIKeyNPNMVAYJXXMZGM-UHFFFAOYSA-N
XLogP1.57
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)furan?
The IUPAC name of 2-(trifluoromethylsulfonyl)furan (CID 13183070) is 2-(trifluoromethylsulfonyl)furan.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)furan?
The canonical SMILES for 2-(trifluoromethylsulfonyl)furan is O=S(=O)(c1ccco1)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)furan?
The InChIKey is NPNMVAYJXXMZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O3S/c6-5(7,8)12(9,10)4-2-1-3-11-4/h1-3H.
What are the key properties of 2-(trifluoromethylsulfonyl)furan?
2-(trifluoromethylsulfonyl)furan has a molecular weight of 200.14 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)furan is sourced from PubChem (CID 13183070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).