1-(trifluoromethylsulfonyl)propoxybenzene

C10H11F3O3S — CID 67622451

IUPAC1-(trifluoromethylsulfonyl)propoxybenzene
SMILESCCC(Oc1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3O3S/c1-2-9(17(14,15)10(11,12)13)16-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyULWPMNNGWXMVEO-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.74
Rot. Bonds4

About 1-(trifluoromethylsulfonyl)propoxybenzene

1-(trifluoromethylsulfonyl)propoxybenzene (PubChem CID 67622451) has the molecular formula C10H11F3O3S and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)propoxybenzene.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)propoxybenzene
PubChem CID67622451
Molecular FormulaC10H11F3O3S
Molecular Weight268.26 g/mol
Exact Mass268.04
IUPAC Name1-(trifluoromethylsulfonyl)propoxybenzene
SMILESCCC(Oc1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3O3S/c1-2-9(17(14,15)10(11,12)13)16-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyULWPMNNGWXMVEO-UHFFFAOYSA-N
XLogP2.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(trifluoromethylsulfonyl)propoxybenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)propoxybenzene?
The IUPAC name of 1-(trifluoromethylsulfonyl)propoxybenzene (CID 67622451) is 1-(trifluoromethylsulfonyl)propoxybenzene.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)propoxybenzene?
The canonical SMILES for 1-(trifluoromethylsulfonyl)propoxybenzene is CCC(Oc1ccccc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)propoxybenzene?
The InChIKey is ULWPMNNGWXMVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3S/c1-2-9(17(14,15)10(11,12)13)16-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of 1-(trifluoromethylsulfonyl)propoxybenzene?
1-(trifluoromethylsulfonyl)propoxybenzene has a molecular weight of 268.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)propoxybenzene is sourced from PubChem (CID 67622451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).