3-(2,2,2-trifluoroethoxy)propylcyclohexane

C11H19F3O — CID 121221077

IUPAC3-(2,2,2-trifluoroethoxy)propylcyclohexane
SMILESFC(F)(F)COCCCC1CCCCC1
InChIInChI=1S/C11H19F3O/c12-11(13,14)9-15-8-4-7-10-5-2-1-3-6-10/h10H,1-9H2
InChIKeyBALWBJQCIZRKAA-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.93
Rot. Bonds5

About 3-(2,2,2-trifluoroethoxy)propylcyclohexane

3-(2,2,2-trifluoroethoxy)propylcyclohexane (PubChem CID 121221077) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)propylcyclohexane.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)propylcyclohexane
PubChem CID121221077
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name3-(2,2,2-trifluoroethoxy)propylcyclohexane
SMILESFC(F)(F)COCCCC1CCCCC1
InChIInChI=1S/C11H19F3O/c12-11(13,14)9-15-8-4-7-10-5-2-1-3-6-10/h10H,1-9H2
InChIKeyBALWBJQCIZRKAA-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)propylcyclohexane?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)propylcyclohexane (CID 121221077) is 3-(2,2,2-trifluoroethoxy)propylcyclohexane.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)propylcyclohexane?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)propylcyclohexane is FC(F)(F)COCCCC1CCCCC1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)propylcyclohexane?
The InChIKey is BALWBJQCIZRKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c12-11(13,14)9-15-8-4-7-10-5-2-1-3-6-10/h10H,1-9H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)propylcyclohexane?
3-(2,2,2-trifluoroethoxy)propylcyclohexane has a molecular weight of 224.27 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)propylcyclohexane is sourced from PubChem (CID 121221077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).