1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone

C12H11F3O3S — CID 63355492

IUPAC1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C12H11F3O3S/c13-12(14,15)19(17,18)10-5-1-8(2-6-10)7-11(16)9-3-4-9/h1-2,5-6,9H,3-4,7H2
InChIKeyLHUBODWLVMDRGG-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.50
Rot. Bonds4

About 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone

1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone (PubChem CID 63355492) has the molecular formula C12H11F3O3S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone
PubChem CID63355492
Molecular FormulaC12H11F3O3S
Molecular Weight292.28 g/mol
Exact Mass292.04
IUPAC Name1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone
SMILESO=C(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C12H11F3O3S/c13-12(14,15)19(17,18)10-5-1-8(2-6-10)7-11(16)9-3-4-9/h1-2,5-6,9H,3-4,7H2
InChIKeyLHUBODWLVMDRGG-UHFFFAOYSA-N
XLogP2.50
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-one
CID 63199172
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
1-cyclopentyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62114725
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
1-[4-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116592401
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515
2-(4-tert-butylphenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145202
2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine
CID 63203657
1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
CID 116557390
1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
CID 43429869

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone (CID 63355492) is 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone is O=C(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone?
The InChIKey is LHUBODWLVMDRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3S/c13-12(14,15)19(17,18)10-5-1-8(2-6-10)7-11(16)9-3-4-9/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone?
1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone has a molecular weight of 292.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone is sourced from PubChem (CID 63355492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).