(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol

C9H12F6O — CID 142150919

IUPAC(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol
SMILESO[C@@H]1C[C@H](CC(F)(F)F)C[C@H](C(F)(F)F)C1
InChIInChI=1S/C9H12F6O/c10-8(11,12)4-5-1-6(9(13,14)15)3-7(16)2-5/h5-7,16H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyMBLLMVIJDJYNOH-DSYKOEDSSA-N
MW250.18 g/mol
LogP3.28
Rot. Bonds1

About (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol

(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 142150919) has the molecular formula C9H12F6O and a molecular weight of 250.18 g/mol. Its IUPAC name is (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol
PubChem CID142150919
Molecular FormulaC9H12F6O
Molecular Weight250.18 g/mol
Exact Mass250.08
IUPAC Name(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol
SMILESO[C@@H]1C[C@H](CC(F)(F)F)C[C@H](C(F)(F)F)C1
InChIInChI=1S/C9H12F6O/c10-8(11,12)4-5-1-6(9(13,14)15)3-7(16)2-5/h5-7,16H,1-4H2/t5-,6+,7-/m1/s1
InChIKeyMBLLMVIJDJYNOH-DSYKOEDSSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol (CID 142150919) is (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol is O[C@@H]1C[C@H](CC(F)(F)F)C[C@H](C(F)(F)F)C1.
What is the InChIKey of (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is MBLLMVIJDJYNOH-DSYKOEDSSA-N. The full InChI is InChI=1S/C9H12F6O/c10-8(11,12)4-5-1-6(9(13,14)15)3-7(16)2-5/h5-7,16H,1-4H2/t5-,6+,7-/m1/s1.
What are the key properties of (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol?
(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 250.18 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 142150919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).