4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene

C11H11F3O2S — CID 71114454

IUPAC4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(S(=O)(=O)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C11H11F3O2S/c1-7-2-3-9(6-10(7)11(12,13)14)17(15,16)8-4-5-8/h2-3,6,8H,4-5H2,1H3
InChIKeyZYNHSQBJRLCNAB-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.95
Rot. Bonds2

About 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene

4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene (PubChem CID 71114454) has the molecular formula C11H11F3O2S and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene
PubChem CID71114454
Molecular FormulaC11H11F3O2S
Molecular Weight264.27 g/mol
Exact Mass264.04
IUPAC Name4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(S(=O)(=O)C2CC2)cc1C(F)(F)F
InChIInChI=1S/C11H11F3O2S/c1-7-2-3-9(6-10(7)11(12,13)14)17(15,16)8-4-5-8/h2-3,6,8H,4-5H2,1H3
InChIKeyZYNHSQBJRLCNAB-UHFFFAOYSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene (CID 71114454) is 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene is Cc1ccc(S(=O)(=O)C2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is ZYNHSQBJRLCNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2S/c1-7-2-3-9(6-10(7)11(12,13)14)17(15,16)8-4-5-8/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene?
4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 264.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 71114454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).