2-bromo-1,1-difluorocyclobutane

C4H5BrF2 — CID 150945166

IUPAC2-bromo-1,1-difluorocyclobutane
SMILESFC1(F)CCC1Br
InChIInChI=1S/C4H5BrF2/c5-3-1-2-4(3,6)7/h3H,1-2H2
InChIKeyLIWXXRDMMIEADB-UHFFFAOYSA-N
MW170.98 g/mol
LogP2.18
Rot. Bonds

About 2-bromo-1,1-difluorocyclobutane

2-bromo-1,1-difluorocyclobutane (PubChem CID 150945166) has the molecular formula C4H5BrF2 and a molecular weight of 170.98 g/mol. Its IUPAC name is 2-bromo-1,1-difluorocyclobutane.

Molecular Properties

Compound Name2-bromo-1,1-difluorocyclobutane
PubChem CID150945166
Molecular FormulaC4H5BrF2
Molecular Weight170.98 g/mol
Exact Mass169.95
IUPAC Name2-bromo-1,1-difluorocyclobutane
SMILESFC1(F)CCC1Br
InChIInChI=1S/C4H5BrF2/c5-3-1-2-4(3,6)7/h3H,1-2H2
InChIKeyLIWXXRDMMIEADB-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.98
LogP ≤ 52.18
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-1,1-difluorocyclobutane?
The IUPAC name of 2-bromo-1,1-difluorocyclobutane (CID 150945166) is 2-bromo-1,1-difluorocyclobutane.
What is the SMILES notation for 2-bromo-1,1-difluorocyclobutane?
The canonical SMILES for 2-bromo-1,1-difluorocyclobutane is FC1(F)CCC1Br.
What is the InChIKey of 2-bromo-1,1-difluorocyclobutane?
The InChIKey is LIWXXRDMMIEADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrF2/c5-3-1-2-4(3,6)7/h3H,1-2H2.
What are the key properties of 2-bromo-1,1-difluorocyclobutane?
2-bromo-1,1-difluorocyclobutane has a molecular weight of 170.98 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-difluorocyclobutane is sourced from PubChem (CID 150945166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).