1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol

C11H12BrFO — CID 68721996

IUPAC1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol
SMILESOC1(c2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C11H12BrFO/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6H2
InChIKeyNEBNNZVHDRNBRQ-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.35
Rot. Bonds1

About 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol

1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol (PubChem CID 68721996) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol
PubChem CID68721996
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol
SMILESOC1(c2ccc(Br)cc2F)CCCC1
InChIInChI=1S/C11H12BrFO/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6H2
InChIKeyNEBNNZVHDRNBRQ-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol (CID 68721996) is 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol is OC1(c2ccc(Br)cc2F)CCCC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol?
The InChIKey is NEBNNZVHDRNBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7,14H,1-2,5-6H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol?
1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol has a molecular weight of 259.12 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 68721996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).