4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol

C13H23F3O3 — CID 129119230

IUPAC4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(OCC(C)(O)C(F)(F)F)C1CCC(O)CC1
InChIInChI=1S/C13H23F3O3/c1-11(2,9-4-6-10(17)7-5-9)19-8-12(3,18)13(14,15)16/h9-10,17-18H,4-8H2,1-3H3
InChIKeyXGQBPLYRZLMDFU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.65
Rot. Bonds4

About 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol

4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol (PubChem CID 129119230) has the molecular formula C13H23F3O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol
PubChem CID129119230
Molecular FormulaC13H23F3O3
Molecular Weight284.32 g/mol
Exact Mass284.16
IUPAC Name4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(OCC(C)(O)C(F)(F)F)C1CCC(O)CC1
InChIInChI=1S/C13H23F3O3/c1-11(2,9-4-6-10(17)7-5-9)19-8-12(3,18)13(14,15)16/h9-10,17-18H,4-8H2,1-3H3
InChIKeyXGQBPLYRZLMDFU-UHFFFAOYSA-N
XLogP2.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol (CID 129119230) is 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol is CC(C)(OCC(C)(O)C(F)(F)F)C1CCC(O)CC1.
What is the InChIKey of 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol?
The InChIKey is XGQBPLYRZLMDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O3/c1-11(2,9-4-6-10(17)7-5-9)19-8-12(3,18)13(14,15)16/h9-10,17-18H,4-8H2,1-3H3.
What are the key properties of 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol?
4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol has a molecular weight of 284.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129119230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).