2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride

C7H6ClF3O3S — CID 130654970

IUPAC2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride
SMILESCc1occc1C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C7H6ClF3O3S/c1-4-5(2-3-14-4)6(7(9,10)11)15(8,12)13/h2-3,6H,1H3
InChIKeyWFBMNLJPRPIVDY-UHFFFAOYSA-N
MW262.64 g/mol
LogP2.76
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride

2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride (PubChem CID 130654970) has the molecular formula C7H6ClF3O3S and a molecular weight of 262.64 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride
PubChem CID130654970
Molecular FormulaC7H6ClF3O3S
Molecular Weight262.64 g/mol
Exact Mass261.97
IUPAC Name2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride
SMILESCc1occc1C(C(F)(F)F)S(=O)(=O)Cl
InChIInChI=1S/C7H6ClF3O3S/c1-4-5(2-3-14-4)6(7(9,10)11)15(8,12)13/h2-3,6H,1H3
InChIKeyWFBMNLJPRPIVDY-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.64
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride (CID 130654970) is 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride is Cc1occc1C(C(F)(F)F)S(=O)(=O)Cl.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride?
The InChIKey is WFBMNLJPRPIVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3O3S/c1-4-5(2-3-14-4)6(7(9,10)11)15(8,12)13/h2-3,6H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride?
2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride has a molecular weight of 262.64 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride is sourced from PubChem (CID 130654970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).