5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene

C13H20F2O2S — CID 21357092

IUPAC5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene
SMILESC=CCCC(CCC=C)S(=O)(=O)C(F)(F)CC=C
InChIInChI=1S/C13H20F2O2S/c1-4-7-9-12(10-8-5-2)18(16,17)13(14,15)11-6-3/h4-6,12H,1-3,7-11H2
InChIKeyKQMONHCEEGZEBZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.87
Rot. Bonds10

About 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene

5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene (PubChem CID 21357092) has the molecular formula C13H20F2O2S and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene.

Molecular Properties

Compound Name5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene
PubChem CID21357092
Molecular FormulaC13H20F2O2S
Molecular Weight278.36 g/mol
Exact Mass278.12
IUPAC Name5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene
SMILESC=CCCC(CCC=C)S(=O)(=O)C(F)(F)CC=C
InChIInChI=1S/C13H20F2O2S/c1-4-7-9-12(10-8-5-2)18(16,17)13(14,15)11-6-3/h4-6,12H,1-3,7-11H2
InChIKeyKQMONHCEEGZEBZ-UHFFFAOYSA-N
XLogP3.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethenyl-1-(prop-2-en-1-yl)thian-1-ium trifluoromethanesulfonate
CID 24199570
5-(1,1-Difluorobut-3-enylsulfonyl)nona-1,8-diene
CID 21357091
6,6,7,7,7-Pentafluoro-2-(6,6,7,7,7-pentafluorohept-1-en-2-ylsulfonyl)hept-1-ene
CID 53717065
6-(Trifluoromethylsulfonyl)hex-1-ene
CID 87201483
7-(Trifluoromethylsulfonyl)oct-1-ene
CID 87831649
6-(6,6-Difluorohex-5-enylsulfonyl)-1,1-difluorohex-1-ene
CID 87898238
6,6,7,7,7-Pentafluoro-3-(6,6,7,7,7-pentafluorohept-1-en-3-ylsulfonyl)hept-1-ene
CID 88231818
12,12,12-Trifluoro-11-(trifluoromethylsulfonyl)dodec-1-ene
CID 118400684
10-(Trifluoromethylsulfonyl)dec-1-ene
CID 140564305
6,6,7,7,7-Pentafluoro-1-(6,6,7,7,7-pentafluorohept-1-enylsulfonyl)hept-1-ene
CID 173284662
2-Ethenyl-1-prop-2-enylthian-1-ium;trifluoromethanesulfonic acid
CID 433675
(E)-1-(trifluoromethylsulfonyl)non-2-ene
CID 11021552

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene?
The IUPAC name of 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene (CID 21357092) is 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene.
What is the SMILES notation for 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene?
The canonical SMILES for 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene is C=CCCC(CCC=C)S(=O)(=O)C(F)(F)CC=C.
What is the InChIKey of 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene?
The InChIKey is KQMONHCEEGZEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2O2S/c1-4-7-9-12(10-8-5-2)18(16,17)13(14,15)11-6-3/h4-6,12H,1-3,7-11H2.
What are the key properties of 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene?
5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene has a molecular weight of 278.36 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluorobut-3-enylsulfonyl)nona-1,8-diene is sourced from PubChem (CID 21357092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).