1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

C12H21F3O2 — CID 23570046

IUPAC1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C12H21F3O2/c1-10(2,16)8-5-4-6-9(7-8)11(3,17)12(13,14)15/h8-9,16-17H,4-7H2,1-3H3
InChIKeyQYQNBJWAVUQSST-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds2

About 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 23570046) has the molecular formula C12H21F3O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID23570046
Molecular FormulaC12H21F3O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCCC(C(C)(O)C(F)(F)F)C1
InChIInChI=1S/C12H21F3O2/c1-10(2,16)8-5-4-6-9(7-8)11(3,17)12(13,14)15/h8-9,16-17H,4-7H2,1-3H3
InChIKeyQYQNBJWAVUQSST-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (CID 23570046) is 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is CC(C)(O)C1CCCC(C(C)(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is QYQNBJWAVUQSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2/c1-10(2,16)8-5-4-6-9(7-8)11(3,17)12(13,14)15/h8-9,16-17H,4-7H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 254.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 23570046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).