2-(2-bromoethyl)-2-fluorooxetane

C5H8BrFO — CID 174560382

IUPAC2-(2-bromoethyl)-2-fluorooxetane
SMILESFC1(CCBr)CCO1
InChIInChI=1S/C5H8BrFO/c6-3-1-5(7)2-4-8-5/h1-4H2
InChIKeyBXEFSGKCSIAGMM-UHFFFAOYSA-N
MW183.02 g/mol
LogP1.86
Rot. Bonds2

About 2-(2-bromoethyl)-2-fluorooxetane

2-(2-bromoethyl)-2-fluorooxetane (PubChem CID 174560382) has the molecular formula C5H8BrFO and a molecular weight of 183.02 g/mol. Its IUPAC name is 2-(2-bromoethyl)-2-fluorooxetane.

Molecular Properties

Compound Name2-(2-bromoethyl)-2-fluorooxetane
PubChem CID174560382
Molecular FormulaC5H8BrFO
Molecular Weight183.02 g/mol
Exact Mass181.97
IUPAC Name2-(2-bromoethyl)-2-fluorooxetane
SMILESFC1(CCBr)CCO1
InChIInChI=1S/C5H8BrFO/c6-3-1-5(7)2-4-8-5/h1-4H2
InChIKeyBXEFSGKCSIAGMM-UHFFFAOYSA-N
XLogP1.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.02
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-bromoethyl)-2-fluorooxetane?
The IUPAC name of 2-(2-bromoethyl)-2-fluorooxetane (CID 174560382) is 2-(2-bromoethyl)-2-fluorooxetane.
What is the SMILES notation for 2-(2-bromoethyl)-2-fluorooxetane?
The canonical SMILES for 2-(2-bromoethyl)-2-fluorooxetane is FC1(CCBr)CCO1.
What is the InChIKey of 2-(2-bromoethyl)-2-fluorooxetane?
The InChIKey is BXEFSGKCSIAGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrFO/c6-3-1-5(7)2-4-8-5/h1-4H2.
What are the key properties of 2-(2-bromoethyl)-2-fluorooxetane?
2-(2-bromoethyl)-2-fluorooxetane has a molecular weight of 183.02 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-2-fluorooxetane is sourced from PubChem (CID 174560382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).