1,2,2,3,3,3-hexafluoropropylsulfonylbenzene

C9H6F6O2S — CID 175031163

IUPAC1,2,2,3,3,3-hexafluoropropylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F6O2S/c10-7(8(11,12)9(13,14)15)18(16,17)6-4-2-1-3-5-6/h1-5,7H
InChIKeyKSJIISOZBBENTP-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.95
Rot. Bonds3

About 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene

1,2,2,3,3,3-hexafluoropropylsulfonylbenzene (PubChem CID 175031163) has the molecular formula C9H6F6O2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene.

Molecular Properties

Compound Name1,2,2,3,3,3-hexafluoropropylsulfonylbenzene
PubChem CID175031163
Molecular FormulaC9H6F6O2S
Molecular Weight292.20 g/mol
Exact Mass292.00
IUPAC Name1,2,2,3,3,3-hexafluoropropylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F6O2S/c10-7(8(11,12)9(13,14)15)18(16,17)6-4-2-1-3-5-6/h1-5,7H
InChIKeyKSJIISOZBBENTP-UHFFFAOYSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene 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

benzenesulfonyl(phenyl)methanol
CID 174895803
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
bis(benzenesulfonyl)methanesulfinic acid
CID 142336859
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
CID 164941118
(benzenesulfonyl-fluoro-iodomethyl)sulfonylbenzene
CID 132518084
1-bromoethylsulfonylbenzene
CID 13411545
ethane;trifluoromethylsulfonylbenzene
CID 144556552
[1-(benzenesulfonyl)-3,3-dimethylbutyl]-trimethylgermane
CID 175532591
(R)-N-[(1R,2R)-1-(benzenesulfonyl)-1-fluoro-2-(4-methylphenyl)propan-2-yl]-2-methylpropane-2-sulfinamide
CID 25170437
2,2,6,6-tetramethylheptan-4-ylsulfonylbenzene
CID 102144824
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780
1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane
CID 175593186

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene?
The IUPAC name of 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene (CID 175031163) is 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene.
What is the SMILES notation for 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene?
The canonical SMILES for 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene is O=S(=O)(c1ccccc1)C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene?
The InChIKey is KSJIISOZBBENTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2S/c10-7(8(11,12)9(13,14)15)18(16,17)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene?
1,2,2,3,3,3-hexafluoropropylsulfonylbenzene has a molecular weight of 292.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,3-hexafluoropropylsulfonylbenzene is sourced from PubChem (CID 175031163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).