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

C10H13F3O6S3 — CID 87398507

IUPAC3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene
SMILESC=CC(F)S(=O)(=O)C(S(=O)(=O)C(F)C=C)S(=O)(=O)C(F)C=C
InChIInChI=1S/C10H13F3O6S3/c1-4-7(11)20(14,15)10(21(16,17)8(12)5-2)22(18,19)9(13)6-3/h4-10H,1-3H2
InChIKeyJKRDHNVTKWIRSC-UHFFFAOYSA-N
MW382.40 g/mol
LogP0.96
Rot. Bonds9

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

3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene (PubChem CID 87398507) has the molecular formula C10H13F3O6S3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene.

Molecular Properties

Compound Name3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene
PubChem CID87398507
Molecular FormulaC10H13F3O6S3
Molecular Weight382.40 g/mol
Exact Mass381.98
IUPAC Name3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene
SMILESC=CC(F)S(=O)(=O)C(S(=O)(=O)C(F)C=C)S(=O)(=O)C(F)C=C
InChIInChI=1S/C10H13F3O6S3/c1-4-7(11)20(14,15)10(21(16,17)8(12)5-2)22(18,19)9(13)6-3/h4-10H,1-3H2
InChIKeyJKRDHNVTKWIRSC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene?
The IUPAC name of 3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene (CID 87398507) is 3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene.
What is the SMILES notation for 3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene?
The canonical SMILES for 3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene is C=CC(F)S(=O)(=O)C(S(=O)(=O)C(F)C=C)S(=O)(=O)C(F)C=C.
What is the InChIKey of 3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene?
The InChIKey is JKRDHNVTKWIRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O6S3/c1-4-7(11)20(14,15)10(21(16,17)8(12)5-2)22(18,19)9(13)6-3/h4-10H,1-3H2.
What are the key properties of 3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene?
3-[bis(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-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(1-fluoroprop-2-enylsulfonyl)methylsulfonyl]-3-fluoroprop-1-ene is sourced from PubChem (CID 87398507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).