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

C10H15F3O2 — CID 79416870

IUPAC4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CCOC(F)(F)F)C1
InChIInChI=1S/C10H15F3O2/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyCXGGTFIXPKKQLR-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.92
Rot. Bonds3

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

4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one (PubChem CID 79416870) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one
PubChem CID79416870
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CCOC(F)(F)F)C1
InChIInChI=1S/C10H15F3O2/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyCXGGTFIXPKKQLR-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one (CID 79416870) is 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one is CC1CCC(=O)C(CCOC(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one?
The InChIKey is CXGGTFIXPKKQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-7-2-3-9(14)8(6-7)4-5-15-10(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one?
4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one has a molecular weight of 224.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(trifluoromethoxy)ethyl]cyclohexan-1-one is sourced from PubChem (CID 79416870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).