2-bromo-6,6-difluorobicyclo[3.1.0]hexane

C6H7BrF2 — CID 155973442

IUPAC2-bromo-6,6-difluorobicyclo[3.1.0]hexane
SMILESFC1(F)C2CCC(Br)C21
InChIInChI=1S/C6H7BrF2/c7-4-2-1-3-5(4)6(3,8)9/h3-5H,1-2H2
InChIKeyICGDNLABKIGYHW-UHFFFAOYSA-N
MW197.02 g/mol
LogP2.42
Rot. Bonds

About 2-bromo-6,6-difluorobicyclo[3.1.0]hexane

2-bromo-6,6-difluorobicyclo[3.1.0]hexane (PubChem CID 155973442) has the molecular formula C6H7BrF2 and a molecular weight of 197.02 g/mol. Its IUPAC name is 2-bromo-6,6-difluorobicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-bromo-6,6-difluorobicyclo[3.1.0]hexane
PubChem CID155973442
Molecular FormulaC6H7BrF2
Molecular Weight197.02 g/mol
Exact Mass195.97
IUPAC Name2-bromo-6,6-difluorobicyclo[3.1.0]hexane
SMILESFC1(F)C2CCC(Br)C21
InChIInChI=1S/C6H7BrF2/c7-4-2-1-3-5(4)6(3,8)9/h3-5H,1-2H2
InChIKeyICGDNLABKIGYHW-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.02
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-6,6-difluorobicyclo[3.1.0]hexane?
The IUPAC name of 2-bromo-6,6-difluorobicyclo[3.1.0]hexane (CID 155973442) is 2-bromo-6,6-difluorobicyclo[3.1.0]hexane.
What is the SMILES notation for 2-bromo-6,6-difluorobicyclo[3.1.0]hexane?
The canonical SMILES for 2-bromo-6,6-difluorobicyclo[3.1.0]hexane is FC1(F)C2CCC(Br)C21.
What is the InChIKey of 2-bromo-6,6-difluorobicyclo[3.1.0]hexane?
The InChIKey is ICGDNLABKIGYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2/c7-4-2-1-3-5(4)6(3,8)9/h3-5H,1-2H2.
What are the key properties of 2-bromo-6,6-difluorobicyclo[3.1.0]hexane?
2-bromo-6,6-difluorobicyclo[3.1.0]hexane has a molecular weight of 197.02 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,6-difluorobicyclo[3.1.0]hexane is sourced from PubChem (CID 155973442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).