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

C11H12BrFO2 — CID 102735545

IUPACtrans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C11H12BrFO2/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(11)14/h4-6,10-11,14H,1-3H2/t10-,11-/m0/s1
InChIKeyMUBOUBRVYSYJGL-QWRGUYRKSA-N
MW275.12 g/mol
LogP2.88
Rot. Bonds2

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

trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol (PubChem CID 102735545) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
PubChem CID102735545
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Nametrans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C11H12BrFO2/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(11)14/h4-6,10-11,14H,1-3H2/t10-,11-/m0/s1
InChIKeyMUBOUBRVYSYJGL-QWRGUYRKSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.88
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)cyclohexan-1-ol
CID 102732659
1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
4-(3-bromo-5-fluorophenoxy)piperidine
CID 81332214
1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
CID 114620042
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-(2-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 60712151
3-(3-bromo-5-fluorophenoxy)spiro[3.5]nonan-1-ol
CID 81326492
2-(3,5-dimethoxyphenoxy)cyclohexan-1-ol
CID 60878416

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol (CID 102735545) is trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Oc1cc(F)cc(Br)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol?
The InChIKey is MUBOUBRVYSYJGL-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H12BrFO2/c12-7-4-8(13)6-9(5-7)15-11-3-1-2-10(11)14/h4-6,10-11,14H,1-3H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol?
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol has a molecular weight of 275.12 g/mol, XLogP of 2.88, 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)cyclopentan-1-ol is sourced from PubChem (CID 102735545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).