trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol

C12H14F2O2 — CID 102732616

IUPACtrans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1F
InChIInChI=1S/C12H14F2O2/c13-8-5-6-9(14)12(7-8)16-11-4-2-1-3-10(11)15/h5-7,10-11,15H,1-4H2/t10-,11-/m1/s1
InChIKeyLWMZVMASSYZLGK-GHMZBOCLSA-N
MW228.24 g/mol
LogP2.65
Rot. Bonds2

About trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol

trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol (PubChem CID 102732616) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
PubChem CID102732616
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Nametrans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1F
InChIInChI=1S/C12H14F2O2/c13-8-5-6-9(14)12(7-8)16-11-4-2-1-3-10(11)15/h5-7,10-11,15H,1-4H2/t10-,11-/m1/s1
InChIKeyLWMZVMASSYZLGK-GHMZBOCLSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 63269274
2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
2-(2-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 60712151
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
3-(2,5-difluorophenoxy)cyclobutan-1-ol
CID 66346063
cis-(1S,2R)-2-[5-fluoro-2-[(2-methylthiophen-3-yl)amino]phenoxy]cyclohexan-1-ol
CID 141309482
3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 107689607
2-[4-fluoro-2-(propylaminomethyl)phenoxy]cyclohexan-1-ol
CID 107695812
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol (CID 102732616) is trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1F.
What is the InChIKey of trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol?
The InChIKey is LWMZVMASSYZLGK-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-8-5-6-9(14)12(7-8)16-11-4-2-1-3-10(11)15/h5-7,10-11,15H,1-4H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol?
trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol has a molecular weight of 228.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 102732616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).