(E)-2-(diethylamino)ethenesulfonyl fluoride

C6H12FNO2S — CID 15065624

IUPAC(E)-2-(diethylamino)ethenesulfonyl fluoride
SMILESCCN(/C=C/S(=O)(=O)F)CC
InChIInChI=1S/C6H12FNO2S/c1-3-8(4-2)5-6-11(7,9)10/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyIMFAPJYRMGJITB-AATRIKPKSA-N
MW181.23 g/mol
LogP1.10
Rot. Bonds4

About (E)-2-(diethylamino)ethenesulfonyl fluoride

(E)-2-(diethylamino)ethenesulfonyl fluoride (PubChem CID 15065624) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is (E)-2-(diethylamino)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(diethylamino)ethenesulfonyl fluoride
PubChem CID15065624
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name(E)-2-(diethylamino)ethenesulfonyl fluoride
SMILESCCN(/C=C/S(=O)(=O)F)CC
InChIInChI=1S/C6H12FNO2S/c1-3-8(4-2)5-6-11(7,9)10/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyIMFAPJYRMGJITB-AATRIKPKSA-N
XLogP1.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(diethylamino)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(diethylamino)ethenesulfonyl fluoride (CID 15065624) is (E)-2-(diethylamino)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(diethylamino)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(diethylamino)ethenesulfonyl fluoride is CCN(/C=C/S(=O)(=O)F)CC.
What is the InChIKey of (E)-2-(diethylamino)ethenesulfonyl fluoride?
The InChIKey is IMFAPJYRMGJITB-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-3-8(4-2)5-6-11(7,9)10/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-2-(diethylamino)ethenesulfonyl fluoride?
(E)-2-(diethylamino)ethenesulfonyl fluoride has a molecular weight of 181.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(diethylamino)ethenesulfonyl fluoride is sourced from PubChem (CID 15065624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).