(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride

C8H5F4NO2S — CID 141490815

IUPAC(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H5F4NO2S/c9-8(10,11)7-2-1-6(5-13-7)3-4-16(12,14)15/h1-5H/b4-3+
InChIKeyMJJYTWMIFVECFI-ONEGZZNKSA-N
MW255.19 g/mol
LogP2.37
Rot. Bonds2

About (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride

(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride (PubChem CID 141490815) has the molecular formula C8H5F4NO2S and a molecular weight of 255.19 g/mol. Its IUPAC name is (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride
PubChem CID141490815
Molecular FormulaC8H5F4NO2S
Molecular Weight255.19 g/mol
Exact Mass255.00
IUPAC Name(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H5F4NO2S/c9-8(10,11)7-2-1-6(5-13-7)3-4-16(12,14)15/h1-5H/b4-3+
InChIKeyMJJYTWMIFVECFI-ONEGZZNKSA-N
XLogP2.37
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride?
The IUPAC name of (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride (CID 141490815) is (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride is O=S(=O)(F)/C=C/c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride?
The InChIKey is MJJYTWMIFVECFI-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H5F4NO2S/c9-8(10,11)7-2-1-6(5-13-7)3-4-16(12,14)15/h1-5H/b4-3+.
What are the key properties of (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride?
(E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride has a molecular weight of 255.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[6-(trifluoromethyl)-3-pyridinyl]ethenesulfonyl fluoride is sourced from PubChem (CID 141490815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).