4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one

C10H15F3O2 — CID 21252668

IUPAC4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one
SMILESCOC(C)(C1CCC(=O)CC1)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7H,3-6H2,1-2H3
InChIKeyGSXBCNQZKCUCEC-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.71
Rot. Bonds2

About 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one

4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one (PubChem CID 21252668) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one
PubChem CID21252668
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one
SMILESCOC(C)(C1CCC(=O)CC1)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7H,3-6H2,1-2H3
InChIKeyGSXBCNQZKCUCEC-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one (CID 21252668) is 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one is COC(C)(C1CCC(=O)CC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one?
The InChIKey is GSXBCNQZKCUCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-9(15-2,10(11,12)13)7-3-5-8(14)6-4-7/h7H,3-6H2,1-2H3.
What are the key properties of 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one?
4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one has a molecular weight of 224.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoro-2-methoxypropan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 21252668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).