1-(2-bromoethoxy)-2-fluoroethane

C4H8BrFO — CID 58352243

IUPAC1-(2-bromoethoxy)-2-fluoroethane
SMILESFCCOCCBr
InChIInChI=1S/C4H8BrFO/c5-1-3-7-4-2-6/h1-4H2
InChIKeyCKDUURXYNYYVLG-UHFFFAOYSA-N
MW171.01 g/mol
LogP1.37
Rot. Bonds4

About 1-(2-bromoethoxy)-2-fluoroethane

1-(2-bromoethoxy)-2-fluoroethane (PubChem CID 58352243) has the molecular formula C4H8BrFO and a molecular weight of 171.01 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2-fluoroethane.

Molecular Properties

Compound Name1-(2-bromoethoxy)-2-fluoroethane
PubChem CID58352243
Molecular FormulaC4H8BrFO
Molecular Weight171.01 g/mol
Exact Mass169.97
IUPAC Name1-(2-bromoethoxy)-2-fluoroethane
SMILESFCCOCCBr
InChIInChI=1S/C4H8BrFO/c5-1-3-7-4-2-6/h1-4H2
InChIKeyCKDUURXYNYYVLG-UHFFFAOYSA-N
XLogP1.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.01
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-2-fluoroethane?
The IUPAC name of 1-(2-bromoethoxy)-2-fluoroethane (CID 58352243) is 1-(2-bromoethoxy)-2-fluoroethane.
What is the SMILES notation for 1-(2-bromoethoxy)-2-fluoroethane?
The canonical SMILES for 1-(2-bromoethoxy)-2-fluoroethane is FCCOCCBr.
What is the InChIKey of 1-(2-bromoethoxy)-2-fluoroethane?
The InChIKey is CKDUURXYNYYVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrFO/c5-1-3-7-4-2-6/h1-4H2.
What are the key properties of 1-(2-bromoethoxy)-2-fluoroethane?
1-(2-bromoethoxy)-2-fluoroethane has a molecular weight of 171.01 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-2-fluoroethane is sourced from PubChem (CID 58352243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).