trifluoromethylsulfonylcyclohexane

C7H11F3O2S — CID 12598645

IUPACtrifluoromethylsulfonylcyclohexane
SMILESO=S(=O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H11F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyICHKKPZSTMPSJH-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.25
Rot. Bonds1

About trifluoromethylsulfonylcyclohexane

trifluoromethylsulfonylcyclohexane (PubChem CID 12598645) has the molecular formula C7H11F3O2S and a molecular weight of 216.22 g/mol. Its IUPAC name is trifluoromethylsulfonylcyclohexane.

Molecular Properties

Compound Nametrifluoromethylsulfonylcyclohexane
PubChem CID12598645
Molecular FormulaC7H11F3O2S
Molecular Weight216.22 g/mol
Exact Mass216.04
IUPAC Nametrifluoromethylsulfonylcyclohexane
SMILESO=S(=O)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H11F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyICHKKPZSTMPSJH-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trifluoromethylsulfonylcyclohexane?
The IUPAC name of trifluoromethylsulfonylcyclohexane (CID 12598645) is trifluoromethylsulfonylcyclohexane.
What is the SMILES notation for trifluoromethylsulfonylcyclohexane?
The canonical SMILES for trifluoromethylsulfonylcyclohexane is O=S(=O)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of trifluoromethylsulfonylcyclohexane?
The InChIKey is ICHKKPZSTMPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of trifluoromethylsulfonylcyclohexane?
trifluoromethylsulfonylcyclohexane has a molecular weight of 216.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylsulfonylcyclohexane is sourced from PubChem (CID 12598645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).