1,1-dibromo-4-fluorobutane

C4H7Br2F — CID 54091383

IUPAC1,1-dibromo-4-fluorobutane
SMILESFCCCC(Br)Br
InChIInChI=1S/C4H7Br2F/c5-4(6)2-1-3-7/h4H,1-3H2
InChIKeyMUCJHLFPORTMNX-UHFFFAOYSA-N
MW233.91 g/mol
LogP2.85
Rot. Bonds3

About 1,1-dibromo-4-fluorobutane

1,1-dibromo-4-fluorobutane (PubChem CID 54091383) has the molecular formula C4H7Br2F and a molecular weight of 233.91 g/mol. Its IUPAC name is 1,1-dibromo-4-fluorobutane.

Molecular Properties

Compound Name1,1-dibromo-4-fluorobutane
PubChem CID54091383
Molecular FormulaC4H7Br2F
Molecular Weight233.91 g/mol
Exact Mass231.89
IUPAC Name1,1-dibromo-4-fluorobutane
SMILESFCCCC(Br)Br
InChIInChI=1S/C4H7Br2F/c5-4(6)2-1-3-7/h4H,1-3H2
InChIKeyMUCJHLFPORTMNX-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.91
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,5-trifluoropentane
CID 87247739
1,1,15-tribromopentadecane
CID 118275782
1,1,13-tribromotridecane
CID 118276299
1,1-dichloro-4-fluorobutane
CID 22321169
5,5-dibromopentylphosphane
CID 23341376
8,8-dibromooctan-1-ol
CID 87333664
2-(3-fluoropropyl)propane-1,3-diol
CID 14985208
1,6-difluoro-3-methylhexane
CID 146258834
1-bromo-12-fluorododecane
CID 9617
4,5-diethyl-1-fluoroheptane
CID 123254760
2,5-difluoro-1-iodopentane
CID 175232085
5,5-dibromopentanoic acid
CID 54289064

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-4-fluorobutane?
The IUPAC name of 1,1-dibromo-4-fluorobutane (CID 54091383) is 1,1-dibromo-4-fluorobutane.
What is the SMILES notation for 1,1-dibromo-4-fluorobutane?
The canonical SMILES for 1,1-dibromo-4-fluorobutane is FCCCC(Br)Br.
What is the InChIKey of 1,1-dibromo-4-fluorobutane?
The InChIKey is MUCJHLFPORTMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Br2F/c5-4(6)2-1-3-7/h4H,1-3H2.
What are the key properties of 1,1-dibromo-4-fluorobutane?
1,1-dibromo-4-fluorobutane has a molecular weight of 233.91 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-4-fluorobutane is sourced from PubChem (CID 54091383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).