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

C5H7BrF2O — CID 107140237

IUPAC1-[bromo(difluoro)methyl]cyclobutan-1-ol
SMILESOC1(C(F)(F)Br)CCC1
InChIInChI=1S/C5H7BrF2O/c6-5(7,8)4(9)2-1-3-4/h9H,1-3H2
InChIKeyOTHGIPJVWZCYMX-UHFFFAOYSA-N
MW201.01 g/mol
LogP1.89
Rot. Bonds1

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

1-[bromo(difluoro)methyl]cyclobutan-1-ol (PubChem CID 107140237) has the molecular formula C5H7BrF2O and a molecular weight of 201.01 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]cyclobutan-1-ol
PubChem CID107140237
Molecular FormulaC5H7BrF2O
Molecular Weight201.01 g/mol
Exact Mass199.96
IUPAC Name1-[bromo(difluoro)methyl]cyclobutan-1-ol
SMILESOC1(C(F)(F)Br)CCC1
InChIInChI=1S/C5H7BrF2O/c6-5(7,8)4(9)2-1-3-4/h9H,1-3H2
InChIKeyOTHGIPJVWZCYMX-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.01
LogP ≤ 51.89
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]cyclobutan-1-ol?
The IUPAC name of 1-[bromo(difluoro)methyl]cyclobutan-1-ol (CID 107140237) is 1-[bromo(difluoro)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[bromo(difluoro)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[bromo(difluoro)methyl]cyclobutan-1-ol is OC1(C(F)(F)Br)CCC1.
What is the InChIKey of 1-[bromo(difluoro)methyl]cyclobutan-1-ol?
The InChIKey is OTHGIPJVWZCYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrF2O/c6-5(7,8)4(9)2-1-3-4/h9H,1-3H2.
What are the key properties of 1-[bromo(difluoro)methyl]cyclobutan-1-ol?
1-[bromo(difluoro)methyl]cyclobutan-1-ol has a molecular weight of 201.01 g/mol, XLogP of 1.89, 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]cyclobutan-1-ol is sourced from PubChem (CID 107140237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).