1-(1-bromoethoxy)-2-fluorobutane

C6H12BrFO — CID 89464118

IUPAC1-(1-bromoethoxy)-2-fluorobutane
SMILESCCC(F)COC(C)Br
InChIInChI=1S/C6H12BrFO/c1-3-6(8)4-9-5(2)7/h5-6H,3-4H2,1-2H3
InChIKeyLZJCJHWZIBBAMU-UHFFFAOYSA-N
MW199.06 g/mol
LogP2.49
Rot. Bonds4

About 1-(1-bromoethoxy)-2-fluorobutane

1-(1-bromoethoxy)-2-fluorobutane (PubChem CID 89464118) has the molecular formula C6H12BrFO and a molecular weight of 199.06 g/mol. Its IUPAC name is 1-(1-bromoethoxy)-2-fluorobutane.

Molecular Properties

Compound Name1-(1-bromoethoxy)-2-fluorobutane
PubChem CID89464118
Molecular FormulaC6H12BrFO
Molecular Weight199.06 g/mol
Exact Mass198.01
IUPAC Name1-(1-bromoethoxy)-2-fluorobutane
SMILESCCC(F)COC(C)Br
InChIInChI=1S/C6H12BrFO/c1-3-6(8)4-9-5(2)7/h5-6H,3-4H2,1-2H3
InChIKeyLZJCJHWZIBBAMU-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.06
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-4-ethoxybutane
CID 6427573
1-(2-Bromoethoxy)propane
CID 2734184
2-Butoxyethyl bromide
CID 138761
1-Bromo-2-(2-fluoroethoxy)ethane
CID 58352243
1-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 134920416
1-(2-Bromoethoxy)-3-fluoropropane
CID 165994432
1-Bromo-2-fluoro-3-methoxypropane
CID 178200085
1-(2-Bromo-1,1-difluoroethoxy)propane
CID 134920415
1,2-Dibromo-1-butoxyethane
CID 13214245
1-Bromoethyl butyl ether
CID 20981439
1-(2-Bromo-1,1,2-trifluoroethoxy)butane
CID 139683182
1-(2-Bromo-1,1,2-trifluoroethoxy)pentane
CID 139683243

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethoxy)-2-fluorobutane?
The IUPAC name of 1-(1-bromoethoxy)-2-fluorobutane (CID 89464118) is 1-(1-bromoethoxy)-2-fluorobutane.
What is the SMILES notation for 1-(1-bromoethoxy)-2-fluorobutane?
The canonical SMILES for 1-(1-bromoethoxy)-2-fluorobutane is CCC(F)COC(C)Br.
What is the InChIKey of 1-(1-bromoethoxy)-2-fluorobutane?
The InChIKey is LZJCJHWZIBBAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrFO/c1-3-6(8)4-9-5(2)7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(1-bromoethoxy)-2-fluorobutane?
1-(1-bromoethoxy)-2-fluorobutane has a molecular weight of 199.06 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethoxy)-2-fluorobutane is sourced from PubChem (CID 89464118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).