3-bromo-1,1,2,2-tetrafluorocyclobutane

C4H3BrF4 — CID 12637090

IUPAC3-bromo-1,1,2,2-tetrafluorocyclobutane
SMILESFC1(F)CC(Br)C1(F)F
InChIInChI=1S/C4H3BrF4/c5-2-1-3(6,7)4(2,8)9/h2H,1H2
InChIKeyDLIXZWDERJNLSV-UHFFFAOYSA-N
MW206.96 g/mol
LogP2.42
Rot. Bonds

About 3-bromo-1,1,2,2-tetrafluorocyclobutane

3-bromo-1,1,2,2-tetrafluorocyclobutane (PubChem CID 12637090) has the molecular formula C4H3BrF4 and a molecular weight of 206.96 g/mol. Its IUPAC name is 3-bromo-1,1,2,2-tetrafluorocyclobutane.

Molecular Properties

Compound Name3-bromo-1,1,2,2-tetrafluorocyclobutane
PubChem CID12637090
Molecular FormulaC4H3BrF4
Molecular Weight206.96 g/mol
Exact Mass205.94
IUPAC Name3-bromo-1,1,2,2-tetrafluorocyclobutane
SMILESFC1(F)CC(Br)C1(F)F
InChIInChI=1S/C4H3BrF4/c5-2-1-3(6,7)4(2,8)9/h2H,1H2
InChIKeyDLIXZWDERJNLSV-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 ≤ 500206.96
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-1,1-difluorocyclobutane
CID 58557207
3,4-Dibromo-1,1,1,2,2-pentafluorobutane
CID 2773990
2-Bromo-1,1-difluorocyclobutane
CID 150945166
1,3,4-Tribromo-1,1,2,2-tetrafluorobutane
CID 2776852
1-Bromo-1,2,2-trifluorocyclobutane
CID 193281
2,3-Dibromo-1,1,1,4,4,4-hexafluorobutane
CID 2736774
3-Bromo-1,1,1,2,2,4,4,4-octafluorobutane
CID 10265704
2,3-Dibromo-1,1,1,2,4,4,4-heptafluorobutane
CID 23064959
2-Bromo-1,1,1,4,4,4-hexafluorobutane
CID 71656085
3-Bromo-1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane
CID 88848383
3,4-Dibromo-1,1,2,2-tetrafluorocyclobutane
CID 119095773
trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane
CID 163208720

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1,2,2-tetrafluorocyclobutane?
The IUPAC name of 3-bromo-1,1,2,2-tetrafluorocyclobutane (CID 12637090) is 3-bromo-1,1,2,2-tetrafluorocyclobutane.
What is the SMILES notation for 3-bromo-1,1,2,2-tetrafluorocyclobutane?
The canonical SMILES for 3-bromo-1,1,2,2-tetrafluorocyclobutane is FC1(F)CC(Br)C1(F)F.
What is the InChIKey of 3-bromo-1,1,2,2-tetrafluorocyclobutane?
The InChIKey is DLIXZWDERJNLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF4/c5-2-1-3(6,7)4(2,8)9/h2H,1H2.
What are the key properties of 3-bromo-1,1,2,2-tetrafluorocyclobutane?
3-bromo-1,1,2,2-tetrafluorocyclobutane has a molecular weight of 206.96 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 3-bromo-1,1,2,2-tetrafluorocyclobutane is sourced from PubChem (CID 12637090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).