5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene

C10H11F9O2S — CID 141170105

IUPAC5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene
SMILESCC=CCC(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F9O2S/c1-3-4-5-6(2)22(20,21)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-4,6H,5H2,1-2H3
InChIKeyUOEKCMYMXVXWOF-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.18
Rot. Bonds6

About 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene

5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene (PubChem CID 141170105) has the molecular formula C10H11F9O2S and a molecular weight of 366.25 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene
PubChem CID141170105
Molecular FormulaC10H11F9O2S
Molecular Weight366.25 g/mol
Exact Mass366.03
IUPAC Name5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene
SMILESCC=CCC(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F9O2S/c1-3-4-5-6(2)22(20,21)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-4,6H,5H2,1-2H3
InChIKeyUOEKCMYMXVXWOF-UHFFFAOYSA-N
XLogP4.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5Z)-1-methyl-3,4,7,8-tetrahydro-2H-thiocin-1-yl] trifluoromethanesulfonate
CID 12577149
(E)-1-ethylsulfinyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134994716
(5Z)-1-methyl-3,4,7,8-tetrahydro-2H-thiocin-1-ium;trifluoromethanesulfonate
CID 176443703
1-Ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene
CID 57286604
5-Ethylsulfonyl-5-fluorocyclohexa-1,3-diene
CID 69312973
5-Fluoro-5-propan-2-ylsulfonylcyclohexa-1,3-diene
CID 69315024
(3R,4Z)-3-(trifluoromethylsulfonyl)hepta-1,4-diene
CID 89381375
5-Methylsulfonyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 91611796
(Z)-4-(trifluoromethylsulfonyl)pent-2-ene
CID 121366816
5-Ethylsulfonyl-1,2-difluorocyclohexa-1,3-diene
CID 123692986
4-(Difluoromethylsulfonyl)pent-1-ene
CID 132063860
2-But-1-enylthiolan-1-ium;4,4,4-trifluorobutane-1-sulfonate
CID 157885869

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene?
The IUPAC name of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene (CID 141170105) is 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene.
What is the SMILES notation for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene?
The canonical SMILES for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene is CC=CCC(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene?
The InChIKey is UOEKCMYMXVXWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9O2S/c1-3-4-5-6(2)22(20,21)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene?
5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene has a molecular weight of 366.25 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hex-2-ene is sourced from PubChem (CID 141170105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).