3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol

C12H14BrFO — CID 79740139

IUPAC3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFO/c1-7-9(3-5-12(7)15)10-6-8(13)2-4-11(10)14/h2,4,6-7,9,12,15H,3,5H2,1H3
InChIKeyWWHWCOSTFNTUSI-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.46
Rot. Bonds1

About 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol

3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol (PubChem CID 79740139) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
PubChem CID79740139
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1c1cc(Br)ccc1F
InChIInChI=1S/C12H14BrFO/c1-7-9(3-5-12(7)15)10-6-8(13)2-4-11(10)14/h2,4,6-7,9,12,15H,3,5H2,1H3
InChIKeyWWHWCOSTFNTUSI-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol (CID 79740139) is 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol is CC1C(O)CCC1c1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol?
The InChIKey is WWHWCOSTFNTUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-7-9(3-5-12(7)15)10-6-8(13)2-4-11(10)14/h2,4,6-7,9,12,15H,3,5H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol?
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol has a molecular weight of 273.14 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 79740139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).