2-(bromomethyl)-2-fluorooxetane

C4H6BrFO — CID 22160837

IUPAC2-(bromomethyl)-2-fluorooxetane
SMILESFC1(CBr)CCO1
InChIInChI=1S/C4H6BrFO/c5-3-4(6)1-2-7-4/h1-3H2
InChIKeyXVDNADGKYXLJFI-UHFFFAOYSA-N
MW168.99 g/mol
LogP1.47
Rot. Bonds1

About 2-(bromomethyl)-2-fluorooxetane

2-(bromomethyl)-2-fluorooxetane (PubChem CID 22160837) has the molecular formula C4H6BrFO and a molecular weight of 168.99 g/mol. Its IUPAC name is 2-(bromomethyl)-2-fluorooxetane.

Molecular Properties

Compound Name2-(bromomethyl)-2-fluorooxetane
PubChem CID22160837
Molecular FormulaC4H6BrFO
Molecular Weight168.99 g/mol
Exact Mass167.96
IUPAC Name2-(bromomethyl)-2-fluorooxetane
SMILESFC1(CBr)CCO1
InChIInChI=1S/C4H6BrFO/c5-3-4(6)1-2-7-4/h1-3H2
InChIKeyXVDNADGKYXLJFI-UHFFFAOYSA-N
XLogP1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 51.47
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

2-(Bromomethyl)oxetane
CID 16244494
2-(2-Bromoethyl)-2-fluorooxetane
CID 174560382
2-(Dibromomethyl)oxetane
CID 19905814
(2S)-2-(bromomethyl)oxetane
CID 51557232
(2R)-2-(Bromomethyl)oxetane
CID 51557233
2-Bromo-4-methyloxetane
CID 141178066
2-(Bromomethyl)-3-deuteriooxetane
CID 176337314

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-fluorooxetane?
The IUPAC name of 2-(bromomethyl)-2-fluorooxetane (CID 22160837) is 2-(bromomethyl)-2-fluorooxetane.
What is the SMILES notation for 2-(bromomethyl)-2-fluorooxetane?
The canonical SMILES for 2-(bromomethyl)-2-fluorooxetane is FC1(CBr)CCO1.
What is the InChIKey of 2-(bromomethyl)-2-fluorooxetane?
The InChIKey is XVDNADGKYXLJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrFO/c5-3-4(6)1-2-7-4/h1-3H2.
What are the key properties of 2-(bromomethyl)-2-fluorooxetane?
2-(bromomethyl)-2-fluorooxetane has a molecular weight of 168.99 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-fluorooxetane is sourced from PubChem (CID 22160837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).