1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide

C6H5F6NO4S2 — CID 118292867

IUPAC1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)C=C(F)F)C(F)C=C(F)F
InChIInChI=1S/C6H5F6NO4S2/c7-3(8)1-5(11)18(14,15)13-19(16,17)6(12)2-4(9)10/h1-2,5-6,13H
InChIKeyRPVPSQAYGHUWJQ-UHFFFAOYSA-N
MW333.23 g/mol
LogP1.39
Rot. Bonds6

About 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide

1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide (PubChem CID 118292867) has the molecular formula C6H5F6NO4S2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide
PubChem CID118292867
Molecular FormulaC6H5F6NO4S2
Molecular Weight333.23 g/mol
Exact Mass332.96
IUPAC Name1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)C=C(F)F)C(F)C=C(F)F
InChIInChI=1S/C6H5F6NO4S2/c7-3(8)1-5(11)18(14,15)13-19(16,17)6(12)2-4(9)10/h1-2,5-6,13H
InChIKeyRPVPSQAYGHUWJQ-UHFFFAOYSA-N
XLogP1.39
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide?
The IUPAC name of 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide (CID 118292867) is 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide is O=S(=O)(NS(=O)(=O)C(F)C=C(F)F)C(F)C=C(F)F.
What is the InChIKey of 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide?
The InChIKey is RPVPSQAYGHUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6NO4S2/c7-3(8)1-5(11)18(14,15)13-19(16,17)6(12)2-4(9)10/h1-2,5-6,13H.
What are the key properties of 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide?
1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide has a molecular weight of 333.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trifluoro-N-(1,3,3-trifluoroprop-2-enylsulfonyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 118292867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).