trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol

C12H14BrFO2 — CID 102732659

IUPACtrans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrFO2/c13-8-5-9(14)7-10(6-8)16-12-4-2-1-3-11(12)15/h5-7,11-12,15H,1-4H2/t11-,12-/m0/s1
InChIKeyGANGKHYGYYUXKO-RYUDHWBXSA-N
MW289.14 g/mol
LogP3.27
Rot. Bonds2

About trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol

trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol (PubChem CID 102732659) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
PubChem CID102732659
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Nametrans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C12H14BrFO2/c13-8-5-9(14)7-10(6-8)16-12-4-2-1-3-11(12)15/h5-7,11-12,15H,1-4H2/t11-,12-/m0/s1
InChIKeyGANGKHYGYYUXKO-RYUDHWBXSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol
CID 102732660
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
CID 102735545
1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
2-(3,5-dimethoxyphenoxy)cyclohexan-1-ol
CID 60878416
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
4-(3-bromo-5-fluorophenoxy)piperidine
CID 81332214
1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
CID 114620042
(3-bromo-5-fluorophenyl) cyclohexanecarboxylate
CID 137371569
3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol
CID 81326492

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol (CID 102732659) is trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Oc1cc(F)cc(Br)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol?
The InChIKey is GANGKHYGYYUXKO-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H14BrFO2/c13-8-5-9(14)7-10(6-8)16-12-4-2-1-3-11(12)15/h5-7,11-12,15H,1-4H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol has a molecular weight of 289.14 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 102732659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).