2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane

C10H14F6O4S2 — CID 87174631

IUPAC2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane
SMILESO=S(=O)(C(CC1CCCCC1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O4S2/c11-9(12,13)21(17,18)8(22(19,20)10(14,15)16)6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyKUMJIIIMBBEMBZ-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.15
Rot. Bonds4

About 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane

2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane (PubChem CID 87174631) has the molecular formula C10H14F6O4S2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane.

Molecular Properties

Compound Name2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane
PubChem CID87174631
Molecular FormulaC10H14F6O4S2
Molecular Weight376.34 g/mol
Exact Mass376.02
IUPAC Name2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane
SMILESO=S(=O)(C(CC1CCCCC1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6O4S2/c11-9(12,13)21(17,18)8(22(19,20)10(14,15)16)6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyKUMJIIIMBBEMBZ-UHFFFAOYSA-N
XLogP3.15
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane?
The IUPAC name of 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane (CID 87174631) is 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane.
What is the SMILES notation for 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane?
The canonical SMILES for 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane is O=S(=O)(C(CC1CCCCC1)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane?
The InChIKey is KUMJIIIMBBEMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O4S2/c11-9(12,13)21(17,18)8(22(19,20)10(14,15)16)6-7-4-2-1-3-5-7/h7-8H,1-6H2.
What are the key properties of 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane?
2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane has a molecular weight of 376.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethylsulfonyl)ethylcyclohexane is sourced from PubChem (CID 87174631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).