(1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol

C11H19F3O — CID 134838492

IUPAC(1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@H]([C@@H](C)CC(F)(F)F)[C@H](O)C1
InChIInChI=1S/C11H19F3O/c1-7-3-4-9(10(15)5-7)8(2)6-11(12,13)14/h7-10,15H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyAXSFOMLXPMMJKP-UTINFBMNSA-N
MW224.27 g/mol
LogP3.37
Rot. Bonds2

About (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol

(1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol (PubChem CID 134838492) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol
PubChem CID134838492
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@H]([C@@H](C)CC(F)(F)F)[C@H](O)C1
InChIInChI=1S/C11H19F3O/c1-7-3-4-9(10(15)5-7)8(2)6-11(12,13)14/h7-10,15H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyAXSFOMLXPMMJKP-UTINFBMNSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Menthol
CID 1254
(-)-Menthol
CID 16666
(+)-Menthol
CID 165675
P-Menthane-3,8-diol
CID 556998
Isomenthol, (+)-
CID 45056
(+)-Neomenthol
CID 439263
Neoisomenthol
CID 19244
Menthoglycol
CID 19100
Isomenthol
CID 6432468
(-)-Neomenthol
CID 6566020
(+-)-Neoisomenthol
CID 1715097
2-Methyl-5-(propan-2-yl)cyclohexan-1-ol
CID 86850

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol (CID 134838492) is (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol is C[C@@H]1CC[C@H]([C@@H](C)CC(F)(F)F)[C@H](O)C1.
What is the InChIKey of (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol?
The InChIKey is AXSFOMLXPMMJKP-UTINFBMNSA-N. The full InChI is InChI=1S/C11H19F3O/c1-7-3-4-9(10(15)5-7)8(2)6-11(12,13)14/h7-10,15H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol?
(1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-5-methyl-2-[(2S)-4,4,4-trifluorobutan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 134838492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).