4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol

C12H21F3O2 — CID 79422611

IUPAC4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CC(O)C(F)(F)F)C1
InChIInChI=1S/C12H21F3O2/c1-7(2)8-3-4-10(16)9(5-8)6-11(17)12(13,14)15/h7-11,16-17H,3-6H2,1-2H3
InChIKeyQJGIMVOEELKKGR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.73
Rot. Bonds3

About 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol

4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol (PubChem CID 79422611) has the molecular formula C12H21F3O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol
PubChem CID79422611
Molecular FormulaC12H21F3O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CC(O)C(F)(F)F)C1
InChIInChI=1S/C12H21F3O2/c1-7(2)8-3-4-10(16)9(5-8)6-11(17)12(13,14)15/h7-11,16-17H,3-6H2,1-2H3
InChIKeyQJGIMVOEELKKGR-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol (CID 79422611) is 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol is CC(C)C1CCC(O)C(CC(O)C(F)(F)F)C1.
What is the InChIKey of 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol?
The InChIKey is QJGIMVOEELKKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2/c1-7(2)8-3-4-10(16)9(5-8)6-11(17)12(13,14)15/h7-11,16-17H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol?
4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol has a molecular weight of 254.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexan-1-ol is sourced from PubChem (CID 79422611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).