trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol

C13H15F3O2 — CID 91657247

IUPACtrans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)18-10-5-3-4-9(8-10)11-6-1-2-7-12(11)17/h3-5,8,11-12,17H,1-2,6-7H2/t11-,12+/m0/s1
InChIKeyXEAJLCJMDSDZPL-NWDGAFQWSA-N
MW260.25 g/mol
LogP3.60
Rot. Bonds2

About trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol

trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol (PubChem CID 91657247) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
PubChem CID91657247
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Nametrans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)18-10-5-3-4-9(8-10)11-6-1-2-7-12(11)17/h3-5,8,11-12,17H,1-2,6-7H2/t11-,12+/m0/s1
InChIKeyXEAJLCJMDSDZPL-NWDGAFQWSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[3-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81010948
2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 91657528
N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 63511320
2-(3-propan-2-yloxyphenyl)cyclopentan-1-ol
CID 2759478
trans-(1S,2R)-2-(3-butoxyphenyl)cyclohexan-1-ol
CID 57202652
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine
CID 69296364
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
3-[3-(trifluoromethoxy)phenyl]cycloheptan-1-one
CID 64506215
cis-(1R,2R)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594918
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol (CID 91657247) is trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is XEAJLCJMDSDZPL-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)18-10-5-3-4-9(8-10)11-6-1-2-7-12(11)17/h3-5,8,11-12,17H,1-2,6-7H2/t11-,12+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 260.25 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 91657247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).