trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol

C7H11F3O — CID 51663263

IUPACtrans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6,11H,1-4H2/t5-,6-/m1/s1
InChIKeyBGAGPUHWVOHHTP-PHDIDXHHSA-N
MW168.16 g/mol
LogP2.10
Rot. Bonds

About trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol

trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 51663263) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol
PubChem CID51663263
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Nametrans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6,11H,1-4H2/t5-,6-/m1/s1
InChIKeyBGAGPUHWVOHHTP-PHDIDXHHSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol (CID 51663263) is trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BGAGPUHWVOHHTP-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6,11H,1-4H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol?
trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 168.16 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 51663263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).