1-(bromomethyl)-3-(difluoromethyl)cyclobutane

C6H9BrF2 — CID 178200040

IUPAC1-(bromomethyl)-3-(difluoromethyl)cyclobutane
SMILESFC(F)C1CC(CBr)C1
InChIInChI=1S/C6H9BrF2/c7-3-4-1-5(2-4)6(8)9/h4-6H,1-3H2
InChIKeyUDEDKFVLJOKRAJ-UHFFFAOYSA-N
MW199.04 g/mol
LogP2.67
Rot. Bonds2

About 1-(bromomethyl)-3-(difluoromethyl)cyclobutane

1-(bromomethyl)-3-(difluoromethyl)cyclobutane (PubChem CID 178200040) has the molecular formula C6H9BrF2 and a molecular weight of 199.04 g/mol. Its IUPAC name is 1-(bromomethyl)-3-(difluoromethyl)cyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-3-(difluoromethyl)cyclobutane
PubChem CID178200040
Molecular FormulaC6H9BrF2
Molecular Weight199.04 g/mol
Exact Mass197.99
IUPAC Name1-(bromomethyl)-3-(difluoromethyl)cyclobutane
SMILESFC(F)C1CC(CBr)C1
InChIInChI=1S/C6H9BrF2/c7-3-4-1-5(2-4)6(8)9/h4-6H,1-3H2
InChIKeyUDEDKFVLJOKRAJ-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 52.67
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 1-(bromomethyl)-3-(difluoromethyl)cyclobutane?
The IUPAC name of 1-(bromomethyl)-3-(difluoromethyl)cyclobutane (CID 178200040) is 1-(bromomethyl)-3-(difluoromethyl)cyclobutane.
What is the SMILES notation for 1-(bromomethyl)-3-(difluoromethyl)cyclobutane?
The canonical SMILES for 1-(bromomethyl)-3-(difluoromethyl)cyclobutane is FC(F)C1CC(CBr)C1.
What is the InChIKey of 1-(bromomethyl)-3-(difluoromethyl)cyclobutane?
The InChIKey is UDEDKFVLJOKRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF2/c7-3-4-1-5(2-4)6(8)9/h4-6H,1-3H2.
What are the key properties of 1-(bromomethyl)-3-(difluoromethyl)cyclobutane?
1-(bromomethyl)-3-(difluoromethyl)cyclobutane has a molecular weight of 199.04 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-(difluoromethyl)cyclobutane is sourced from PubChem (CID 178200040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).