1-[bromo(difluoro)methyl]cyclohexan-1-ol

C7H11BrF2O — CID 107139955

IUPAC1-[bromo(difluoro)methyl]cyclohexan-1-ol
SMILESOC1(C(F)(F)Br)CCCCC1
InChIInChI=1S/C7H11BrF2O/c8-7(9,10)6(11)4-2-1-3-5-6/h11H,1-5H2
InChIKeyBWJIMYBWJOGODT-UHFFFAOYSA-N
MW229.06 g/mol
LogP2.67
Rot. Bonds1

About 1-[bromo(difluoro)methyl]cyclohexan-1-ol

1-[bromo(difluoro)methyl]cyclohexan-1-ol (PubChem CID 107139955) has the molecular formula C7H11BrF2O and a molecular weight of 229.06 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]cyclohexan-1-ol
PubChem CID107139955
Molecular FormulaC7H11BrF2O
Molecular Weight229.06 g/mol
Exact Mass228.00
IUPAC Name1-[bromo(difluoro)methyl]cyclohexan-1-ol
SMILESOC1(C(F)(F)Br)CCCCC1
InChIInChI=1S/C7H11BrF2O/c8-7(9,10)6(11)4-2-1-3-5-6/h11H,1-5H2
InChIKeyBWJIMYBWJOGODT-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 52.67
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-[bromo(difluoro)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[bromo(difluoro)methyl]cyclohexan-1-ol (CID 107139955) is 1-[bromo(difluoro)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[bromo(difluoro)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[bromo(difluoro)methyl]cyclohexan-1-ol is OC1(C(F)(F)Br)CCCCC1.
What is the InChIKey of 1-[bromo(difluoro)methyl]cyclohexan-1-ol?
The InChIKey is BWJIMYBWJOGODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF2O/c8-7(9,10)6(11)4-2-1-3-5-6/h11H,1-5H2.
What are the key properties of 1-[bromo(difluoro)methyl]cyclohexan-1-ol?
1-[bromo(difluoro)methyl]cyclohexan-1-ol has a molecular weight of 229.06 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107139955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).