3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride

C9H15F3O2S — CID 175426926

IUPAC3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride
SMILESCCCCCC(=CCS(=O)(=O)F)C(F)F
InChIInChI=1S/C9H15F3O2S/c1-2-3-4-5-8(9(10)11)6-7-15(12,13)14/h6,9H,2-5,7H2,1H3
InChIKeyCUSFNSMJLSGUCY-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.06
Rot. Bonds7

About 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride

3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride (PubChem CID 175426926) has the molecular formula C9H15F3O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride
PubChem CID175426926
Molecular FormulaC9H15F3O2S
Molecular Weight244.28 g/mol
Exact Mass244.07
IUPAC Name3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride
SMILESCCCCCC(=CCS(=O)(=O)F)C(F)F
InChIInChI=1S/C9H15F3O2S/c1-2-3-4-5-8(9(10)11)6-7-15(12,13)14/h6,9H,2-5,7H2,1H3
InChIKeyCUSFNSMJLSGUCY-UHFFFAOYSA-N
XLogP3.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride?
The IUPAC name of 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride (CID 175426926) is 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride.
What is the SMILES notation for 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride?
The canonical SMILES for 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride is CCCCCC(=CCS(=O)(=O)F)C(F)F.
What is the InChIKey of 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride?
The InChIKey is CUSFNSMJLSGUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2S/c1-2-3-4-5-8(9(10)11)6-7-15(12,13)14/h6,9H,2-5,7H2,1H3.
What are the key properties of 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride?
3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride has a molecular weight of 244.28 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)oct-2-ene-1-sulfonyl fluoride is sourced from PubChem (CID 175426926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).