3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene

C10H13F3O6S3 — CID 173072494

IUPAC3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene
SMILESO=S(=O)(CC=CF)C(S(=O)(=O)CC=CF)S(=O)(=O)CC=CF
InChIInChI=1S/C10H13F3O6S3/c11-4-1-7-20(14,15)10(21(16,17)8-2-5-12)22(18,19)9-3-6-13/h1-6,10H,7-9H2
InChIKeyBVPQIUIMMPLHOS-UHFFFAOYSA-N
MW382.40 g/mol
LogP0.96
Rot. Bonds9

About 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene

3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene (PubChem CID 173072494) has the molecular formula C10H13F3O6S3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene.

Molecular Properties

Compound Name3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene
PubChem CID173072494
Molecular FormulaC10H13F3O6S3
Molecular Weight382.40 g/mol
Exact Mass381.98
IUPAC Name3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene
SMILESO=S(=O)(CC=CF)C(S(=O)(=O)CC=CF)S(=O)(=O)CC=CF
InChIInChI=1S/C10H13F3O6S3/c11-4-1-7-20(14,15)10(21(16,17)8-2-5-12)22(18,19)9-3-6-13/h1-6,10H,7-9H2
InChIKeyBVPQIUIMMPLHOS-UHFFFAOYSA-N
XLogP0.96
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene?
The IUPAC name of 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene (CID 173072494) is 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene.
What is the SMILES notation for 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene?
The canonical SMILES for 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene is O=S(=O)(CC=CF)C(S(=O)(=O)CC=CF)S(=O)(=O)CC=CF.
What is the InChIKey of 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene?
The InChIKey is BVPQIUIMMPLHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O6S3/c11-4-1-7-20(14,15)10(21(16,17)8-2-5-12)22(18,19)9-3-6-13/h1-6,10H,7-9H2.
What are the key properties of 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene?
3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene has a molecular weight of 382.40 g/mol, XLogP of 0.96, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-fluoroprop-2-enylsulfonyl)methylsulfonyl]-1-fluoroprop-1-ene is sourced from PubChem (CID 173072494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).