2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol

C11H12BrFO2 — CID 83234151

IUPAC2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
SMILESOC1CCCC1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFO2/c12-8-6-7(4-5-9(8)13)15-11-3-1-2-10(11)14/h4-6,10-11,14H,1-3H2
InChIKeyORNTZDBYNDQLQV-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol

2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol (PubChem CID 83234151) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
PubChem CID83234151
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
SMILESOC1CCCC1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C11H12BrFO2/c12-8-6-7(4-5-9(8)13)15-11-3-1-2-10(11)14/h4-6,10-11,14H,1-3H2
InChIKeyORNTZDBYNDQLQV-UHFFFAOYSA-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

2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol
CID 102714916
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(4-bromo-3-methylphenoxy)cyclohexan-1-ol
CID 102732682
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
4-(3-bromo-4-fluorophenoxy)piperidine
CID 83235035
trans-(1S,2S)-2-(3-bromo-5-fluorophenoxy)cyclopentan-1-ol
CID 102735545
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
2-(2-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 60712151
trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
CID 102735425
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol (CID 83234151) is 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol is OC1CCCC1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol?
The InChIKey is ORNTZDBYNDQLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c12-8-6-7(4-5-9(8)13)15-11-3-1-2-10(11)14/h4-6,10-11,14H,1-3H2.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol?
2-(3-bromo-4-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 2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol is sourced from PubChem (CID 83234151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).