5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride

C6H4ClF3O3S — CID 2779895

IUPAC5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C(F)(F)F)o1
InChIInChI=1S/C6H4ClF3O3S/c1-3-2-4(14(7,11)12)5(13-3)6(8,9)10/h2H,1H3
InChIKeyGSYXWDYWBRICSD-UHFFFAOYSA-N
MW248.61 g/mol
LogP2.53
Rot. Bonds1

About 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride

5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride (PubChem CID 2779895) has the molecular formula C6H4ClF3O3S and a molecular weight of 248.61 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride
PubChem CID2779895
Molecular FormulaC6H4ClF3O3S
Molecular Weight248.61 g/mol
Exact Mass247.95
IUPAC Name5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C(F)(F)F)o1
InChIInChI=1S/C6H4ClF3O3S/c1-3-2-4(14(7,11)12)5(13-3)6(8,9)10/h2H,1H3
InChIKeyGSYXWDYWBRICSD-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.61
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride?
The IUPAC name of 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride (CID 2779895) is 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C(F)(F)F)o1.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride?
The InChIKey is GSYXWDYWBRICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3O3S/c1-3-2-4(14(7,11)12)5(13-3)6(8,9)10/h2H,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride?
5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride has a molecular weight of 248.61 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trifluoromethyl)furan-3-sulfonyl chloride is sourced from PubChem (CID 2779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).