4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one

C11H17F3O2 — CID 79417592

IUPAC4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CCOC(F)(F)F)C1
InChIInChI=1S/C11H17F3O2/c1-2-8-3-4-10(15)9(7-8)5-6-16-11(12,13)14/h8-9H,2-7H2,1H3
InChIKeyWXTGHBQMESNXFI-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.31
Rot. Bonds4

About 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one

4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one (PubChem CID 79417592) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one
PubChem CID79417592
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CCOC(F)(F)F)C1
InChIInChI=1S/C11H17F3O2/c1-2-8-3-4-10(15)9(7-8)5-6-16-11(12,13)14/h8-9H,2-7H2,1H3
InChIKeyWXTGHBQMESNXFI-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one (CID 79417592) is 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one is CCC1CCC(=O)C(CCOC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one?
The InChIKey is WXTGHBQMESNXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-2-8-3-4-10(15)9(7-8)5-6-16-11(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one?
4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one has a molecular weight of 238.25 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one is sourced from PubChem (CID 79417592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).