2-(trifluoromethylsulfonyl)cyclohexan-1-one

C7H9F3O3S — CID 12541755

IUPAC2-(trifluoromethylsulfonyl)cyclohexan-1-one
SMILESO=C1CCCCC1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O3S/c8-7(9,10)14(12,13)6-4-2-1-3-5(6)11/h6H,1-4H2
InChIKeyARMWWEZPSKXGAJ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.43
Rot. Bonds1

About 2-(trifluoromethylsulfonyl)cyclohexan-1-one

2-(trifluoromethylsulfonyl)cyclohexan-1-one (PubChem CID 12541755) has the molecular formula C7H9F3O3S and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)cyclohexan-1-one
PubChem CID12541755
Molecular FormulaC7H9F3O3S
Molecular Weight230.21 g/mol
Exact Mass230.02
IUPAC Name2-(trifluoromethylsulfonyl)cyclohexan-1-one
SMILESO=C1CCCCC1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H9F3O3S/c8-7(9,10)14(12,13)6-4-2-1-3-5(6)11/h6H,1-4H2
InChIKeyARMWWEZPSKXGAJ-UHFFFAOYSA-N
XLogP1.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)cyclohexan-1-one?
The IUPAC name of 2-(trifluoromethylsulfonyl)cyclohexan-1-one (CID 12541755) is 2-(trifluoromethylsulfonyl)cyclohexan-1-one.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)cyclohexan-1-one?
The canonical SMILES for 2-(trifluoromethylsulfonyl)cyclohexan-1-one is O=C1CCCCC1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)cyclohexan-1-one?
The InChIKey is ARMWWEZPSKXGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O3S/c8-7(9,10)14(12,13)6-4-2-1-3-5(6)11/h6H,1-4H2.
What are the key properties of 2-(trifluoromethylsulfonyl)cyclohexan-1-one?
2-(trifluoromethylsulfonyl)cyclohexan-1-one has a molecular weight of 230.21 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)cyclohexan-1-one is sourced from PubChem (CID 12541755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).