1-(5-bromo-2-fluorocyclohexyl)ethanol

C8H14BrFO — CID 143219640

IUPAC1-(5-bromo-2-fluorocyclohexyl)ethanol
SMILESCC(O)C1CC(Br)CCC1F
InChIInChI=1S/C8H14BrFO/c1-5(11)7-4-6(9)2-3-8(7)10/h5-8,11H,2-4H2,1H3
InChIKeyGILYGDXQKQITDP-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.27
Rot. Bonds1

About 1-(5-bromo-2-fluorocyclohexyl)ethanol

1-(5-bromo-2-fluorocyclohexyl)ethanol (PubChem CID 143219640) has the molecular formula C8H14BrFO and a molecular weight of 225.10 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorocyclohexyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorocyclohexyl)ethanol
PubChem CID143219640
Molecular FormulaC8H14BrFO
Molecular Weight225.10 g/mol
Exact Mass224.02
IUPAC Name1-(5-bromo-2-fluorocyclohexyl)ethanol
SMILESCC(O)C1CC(Br)CCC1F
InChIInChI=1S/C8H14BrFO/c1-5(11)7-4-6(9)2-3-8(7)10/h5-8,11H,2-4H2,1H3
InChIKeyGILYGDXQKQITDP-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorocyclohexyl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorocyclohexyl)ethanol (CID 143219640) is 1-(5-bromo-2-fluorocyclohexyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorocyclohexyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorocyclohexyl)ethanol is CC(O)C1CC(Br)CCC1F.
What is the InChIKey of 1-(5-bromo-2-fluorocyclohexyl)ethanol?
The InChIKey is GILYGDXQKQITDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrFO/c1-5(11)7-4-6(9)2-3-8(7)10/h5-8,11H,2-4H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorocyclohexyl)ethanol?
1-(5-bromo-2-fluorocyclohexyl)ethanol has a molecular weight of 225.10 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorocyclohexyl)ethanol is sourced from PubChem (CID 143219640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).