1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene

C7H10F2O4S2 — CID 173287767

IUPAC1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene
SMILESO=S(=O)(CC=CF)CS(=O)(=O)CC=CF
InChIInChI=1S/C7H10F2O4S2/c8-3-1-5-14(10,11)7-15(12,13)6-2-4-9/h1-4H,5-7H2
InChIKeyKBCJNCVFOCRWRG-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.74
Rot. Bonds6

About 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene

1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene (PubChem CID 173287767) has the molecular formula C7H10F2O4S2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene
PubChem CID173287767
Molecular FormulaC7H10F2O4S2
Molecular Weight260.28 g/mol
Exact Mass260.00
IUPAC Name1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene
SMILESO=S(=O)(CC=CF)CS(=O)(=O)CC=CF
InChIInChI=1S/C7H10F2O4S2/c8-3-1-5-14(10,11)7-15(12,13)6-2-4-9/h1-4H,5-7H2
InChIKeyKBCJNCVFOCRWRG-UHFFFAOYSA-N
XLogP0.74
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene?
The IUPAC name of 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene (CID 173287767) is 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene.
What is the SMILES notation for 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene?
The canonical SMILES for 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene is O=S(=O)(CC=CF)CS(=O)(=O)CC=CF.
What is the InChIKey of 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene?
The InChIKey is KBCJNCVFOCRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O4S2/c8-3-1-5-14(10,11)7-15(12,13)6-2-4-9/h1-4H,5-7H2.
What are the key properties of 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene?
1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene has a molecular weight of 260.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-fluoroprop-2-enylsulfonylmethylsulfonyl)prop-1-ene is sourced from PubChem (CID 173287767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).