1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol

C10H9BrF2O — CID 164896669

IUPAC1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
SMILESOC1(c2cc(F)c(Br)c(F)c2)CCC1
InChIInChI=1S/C10H9BrF2O/c11-9-7(12)4-6(5-8(9)13)10(14)2-1-3-10/h4-5,14H,1-3H2
InChIKeyYEERUNLBXYSKNN-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.10
Rot. Bonds1

About 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol

1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol (PubChem CID 164896669) has the molecular formula C10H9BrF2O and a molecular weight of 263.08 g/mol. Its IUPAC name is 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
PubChem CID164896669
Molecular FormulaC10H9BrF2O
Molecular Weight263.08 g/mol
Exact Mass261.98
IUPAC Name1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
SMILESOC1(c2cc(F)c(Br)c(F)c2)CCC1
InChIInChI=1S/C10H9BrF2O/c11-9-7(12)4-6(5-8(9)13)10(14)2-1-3-10/h4-5,14H,1-3H2
InChIKeyYEERUNLBXYSKNN-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol?
The IUPAC name of 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol (CID 164896669) is 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol?
The canonical SMILES for 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol is OC1(c2cc(F)c(Br)c(F)c2)CCC1.
What is the InChIKey of 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol?
The InChIKey is YEERUNLBXYSKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O/c11-9-7(12)4-6(5-8(9)13)10(14)2-1-3-10/h4-5,14H,1-3H2.
What are the key properties of 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol?
1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol has a molecular weight of 263.08 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol is sourced from PubChem (CID 164896669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).