1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole

C7H9FN2O — CID 126847907

IUPAC1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole
SMILESF[C@@H]1COC[C@H]1n1ccnc1
InChIInChI=1S/C7H9FN2O/c8-6-3-11-4-7(6)10-2-1-9-5-10/h1-2,5-7H,3-4H2/t6-,7-/m1/s1
InChIKeyZSKZXUXXERAQDE-RNFRBKRXSA-N
MW156.16 g/mol
LogP0.79
Rot. Bonds1

About 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole

1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole (PubChem CID 126847907) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole.

Molecular Properties

Compound Name1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole
PubChem CID126847907
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole
SMILESF[C@@H]1COC[C@H]1n1ccnc1
InChIInChI=1S/C7H9FN2O/c8-6-3-11-4-7(6)10-2-1-9-5-10/h1-2,5-7H,3-4H2/t6-,7-/m1/s1
InChIKeyZSKZXUXXERAQDE-RNFRBKRXSA-N
XLogP0.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole?
The IUPAC name of 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole (CID 126847907) is 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole.
What is the SMILES notation for 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole?
The canonical SMILES for 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole is F[C@@H]1COC[C@H]1n1ccnc1.
What is the InChIKey of 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole?
The InChIKey is ZSKZXUXXERAQDE-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-6-3-11-4-7(6)10-2-1-9-5-10/h1-2,5-7H,3-4H2/t6-,7-/m1/s1.
What are the key properties of 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole?
1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole has a molecular weight of 156.16 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole is sourced from PubChem (CID 126847907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).