1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

C12H21F3O2 — CID 23570050

IUPAC1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C12H21F3O2/c1-10(2,16)8-4-6-9(7-5-8)11(3,17)12(13,14)15/h8-9,16-17H,4-7H2,1-3H3
InChIKeyADLMVKXNQQWEAI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds2

About 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol

1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 23570050) has the molecular formula C12H21F3O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID23570050
Molecular FormulaC12H21F3O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C12H21F3O2/c1-10(2,16)8-4-6-9(7-5-8)11(3,17)12(13,14)15/h8-9,16-17H,4-7H2,1-3H3
InChIKeyADLMVKXNQQWEAI-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

Analyze 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol with MolForge

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Related Compounds

2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
CID 129298767
2-[3-[2-[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1-trifluoropropan-2-ol
CID 58330636
2-cyclononadecylpropan-2-ol
CID 126587376
2-cyclooctylpropan-2-ol
CID 27966
2-cyclohexylpropan-2-ol;methanamine
CID 155735582
1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
CID 58330634
4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxamide
CID 22481640
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982971
[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-difluoroacetate
CID 58436068
2-[(1R,3R)-3-aminocyclopentyl]propan-2-ol
CID 89389894

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol (CID 23570050) is 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(C(C)(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is ADLMVKXNQQWEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2/c1-10(2,16)8-4-6-9(7-5-8)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-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol?
1,1,1-trifluoro-2-[4-(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-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 23570050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).