3-bromo-4-fluorooxolane

C4H6BrFO — CID 131701617

IUPAC3-bromo-4-fluorooxolane
SMILESFC1COCC1Br
InChIInChI=1S/C4H6BrFO/c5-3-1-7-2-4(3)6/h3-4H,1-2H2
InChIKeyAWZMROPNYAMGRQ-UHFFFAOYSA-N
MW168.99 g/mol
LogP1.12
Rot. Bonds

About 3-bromo-4-fluorooxolane

3-bromo-4-fluorooxolane (PubChem CID 131701617) has the molecular formula C4H6BrFO and a molecular weight of 168.99 g/mol. Its IUPAC name is 3-bromo-4-fluorooxolane.

Molecular Properties

Compound Name3-bromo-4-fluorooxolane
PubChem CID131701617
Molecular FormulaC4H6BrFO
Molecular Weight168.99 g/mol
Exact Mass167.96
IUPAC Name3-bromo-4-fluorooxolane
SMILESFC1COCC1Br
InChIInChI=1S/C4H6BrFO/c5-3-1-7-2-4(3)6/h3-4H,1-2H2
InChIKeyAWZMROPNYAMGRQ-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 51.12
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

(3R,4S)-4-fluorooxolan-3-amine;hydrochloride
CID 139027088
(3R,4S)-4-fluoro-N-(2-methylpropyl)oxolan-3-amine
CID 126847893
(2S,3S)-2,3-difluorooxetane
CID 102161856
trans-(1R,2R)-1-bromo-2-fluorocycloheptane
CID 11446885
(1S,5R,6R)-5-fluoro-7-propan-2-yl-3-oxa-7-azabicyclo[4.1.1]octane
CID 176594328
(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen
CID 177003690
[(3R,4R)-3-bromooxan-4-yl]methanamine
CID 124709001
3-bromo-4-butoxyoxolane
CID 114772096
3-bromo-4-(3-methylbutoxy)oxolane
CID 114772954
1-bromo-2,3-difluorocyclohexane
CID 118181696
(5R)-1-bromo-2,3,5-trifluorocyclohexane
CID 146282305
(3-fluorooxan-4-yl)methanamine
CID 84648187

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluorooxolane?
The IUPAC name of 3-bromo-4-fluorooxolane (CID 131701617) is 3-bromo-4-fluorooxolane.
What is the SMILES notation for 3-bromo-4-fluorooxolane?
The canonical SMILES for 3-bromo-4-fluorooxolane is FC1COCC1Br.
What is the InChIKey of 3-bromo-4-fluorooxolane?
The InChIKey is AWZMROPNYAMGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrFO/c5-3-1-7-2-4(3)6/h3-4H,1-2H2.
What are the key properties of 3-bromo-4-fluorooxolane?
3-bromo-4-fluorooxolane has a molecular weight of 168.99 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluorooxolane is sourced from PubChem (CID 131701617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).