2,2,2-tribromo-1-cyclohexylethanol

C8H13Br3O — CID 134920129

IUPAC2,2,2-tribromo-1-cyclohexylethanol
SMILESOC(C1CCCCC1)C(Br)(Br)Br
InChIInChI=1S/C8H13Br3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2
InChIKeyLENWFJQRQANJIB-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.77
Rot. Bonds1

About 2,2,2-tribromo-1-cyclohexylethanol

2,2,2-tribromo-1-cyclohexylethanol (PubChem CID 134920129) has the molecular formula C8H13Br3O and a molecular weight of 364.90 g/mol. Its IUPAC name is 2,2,2-tribromo-1-cyclohexylethanol.

Molecular Properties

Compound Name2,2,2-tribromo-1-cyclohexylethanol
PubChem CID134920129
Molecular FormulaC8H13Br3O
Molecular Weight364.90 g/mol
Exact Mass361.85
IUPAC Name2,2,2-tribromo-1-cyclohexylethanol
SMILESOC(C1CCCCC1)C(Br)(Br)Br
InChIInChI=1S/C8H13Br3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2
InChIKeyLENWFJQRQANJIB-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.77
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 2,2,2-tribromo-1-cyclohexylethanol?
The IUPAC name of 2,2,2-tribromo-1-cyclohexylethanol (CID 134920129) is 2,2,2-tribromo-1-cyclohexylethanol.
What is the SMILES notation for 2,2,2-tribromo-1-cyclohexylethanol?
The canonical SMILES for 2,2,2-tribromo-1-cyclohexylethanol is OC(C1CCCCC1)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-1-cyclohexylethanol?
The InChIKey is LENWFJQRQANJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2.
What are the key properties of 2,2,2-tribromo-1-cyclohexylethanol?
2,2,2-tribromo-1-cyclohexylethanol has a molecular weight of 364.90 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-1-cyclohexylethanol is sourced from PubChem (CID 134920129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).