2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane

C11H19F3O — CID 160818367

IUPAC2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane
SMILESCC(C)(OCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H19F3O/c1-10(2,15-8-11(12,13)14)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeySFFCDAZFIOXEKF-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.92
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane

2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane (PubChem CID 160818367) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane
PubChem CID160818367
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane
SMILESCC(C)(OCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H19F3O/c1-10(2,15-8-11(12,13)14)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeySFFCDAZFIOXEKF-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane (CID 160818367) is 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane is CC(C)(OCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane?
The InChIKey is SFFCDAZFIOXEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-10(2,15-8-11(12,13)14)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane?
2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane has a molecular weight of 224.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)propan-2-ylcyclohexane is sourced from PubChem (CID 160818367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).