(E)-3,3-difluorohex-4-ene-1-sulfonamide

C6H11F2NO2S — CID 170409708

IUPAC(E)-3,3-difluorohex-4-ene-1-sulfonamide
SMILESC/C=C/C(F)(F)CCS(N)(=O)=O
InChIInChI=1S/C6H11F2NO2S/c1-2-3-6(7,8)4-5-12(9,10)11/h2-3H,4-5H2,1H3,(H2,9,10,11)/b3-2+
InChIKeyUFBYYFWRODUDIF-NSCUHMNNSA-N
MW199.22 g/mol
LogP0.88
Rot. Bonds4

About (E)-3,3-difluorohex-4-ene-1-sulfonamide

(E)-3,3-difluorohex-4-ene-1-sulfonamide (PubChem CID 170409708) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is (E)-3,3-difluorohex-4-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-3,3-difluorohex-4-ene-1-sulfonamide
PubChem CID170409708
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name(E)-3,3-difluorohex-4-ene-1-sulfonamide
SMILESC/C=C/C(F)(F)CCS(N)(=O)=O
InChIInChI=1S/C6H11F2NO2S/c1-2-3-6(7,8)4-5-12(9,10)11/h2-3H,4-5H2,1H3,(H2,9,10,11)/b3-2+
InChIKeyUFBYYFWRODUDIF-NSCUHMNNSA-N
XLogP0.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-3,3-difluorohex-4-ene-1-sulfonamide?
The IUPAC name of (E)-3,3-difluorohex-4-ene-1-sulfonamide (CID 170409708) is (E)-3,3-difluorohex-4-ene-1-sulfonamide.
What is the SMILES notation for (E)-3,3-difluorohex-4-ene-1-sulfonamide?
The canonical SMILES for (E)-3,3-difluorohex-4-ene-1-sulfonamide is C/C=C/C(F)(F)CCS(N)(=O)=O.
What is the InChIKey of (E)-3,3-difluorohex-4-ene-1-sulfonamide?
The InChIKey is UFBYYFWRODUDIF-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-2-3-6(7,8)4-5-12(9,10)11/h2-3H,4-5H2,1H3,(H2,9,10,11)/b3-2+.
What are the key properties of (E)-3,3-difluorohex-4-ene-1-sulfonamide?
(E)-3,3-difluorohex-4-ene-1-sulfonamide has a molecular weight of 199.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-difluorohex-4-ene-1-sulfonamide is sourced from PubChem (CID 170409708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).