2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone

C12H19F3O2 — CID 105117051

IUPAC2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESCC(C)OCC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-8(2)17-7-11(16)9-5-3-4-6-10(9)12(13,14)15/h8-10H,3-7H2,1-2H3
InChIKeyZJMIXQYYVGELEH-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.35
Rot. Bonds4

About 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone

2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 105117051) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID105117051
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESCC(C)OCC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-8(2)17-7-11(16)9-5-3-4-6-10(9)12(13,14)15/h8-10H,3-7H2,1-2H3
InChIKeyZJMIXQYYVGELEH-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone (CID 105117051) is 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone is CC(C)OCC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is ZJMIXQYYVGELEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-8(2)17-7-11(16)9-5-3-4-6-10(9)12(13,14)15/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 252.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 105117051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).