1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole

C10H15FN2O — CID 126847908

IUPAC1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H15FN2O/c1-7(2)10-12-3-4-13(10)9-6-14-5-8(9)11/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyUSZUCEAFPJDJGV-RKDXNWHRSA-N
MW198.24 g/mol
LogP1.92
Rot. Bonds2

About 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole

1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole (PubChem CID 126847908) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole
PubChem CID126847908
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1[C@@H]1COC[C@H]1F
InChIInChI=1S/C10H15FN2O/c1-7(2)10-12-3-4-13(10)9-6-14-5-8(9)11/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyUSZUCEAFPJDJGV-RKDXNWHRSA-N
XLogP1.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.92
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]-2-propan-2-ylimidazole?
The IUPAC name of 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole (CID 126847908) is 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole.
What is the SMILES notation for 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole?
The canonical SMILES for 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole is CC(C)c1nccn1[C@@H]1COC[C@H]1F.
What is the InChIKey of 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole?
The InChIKey is USZUCEAFPJDJGV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7(2)10-12-3-4-13(10)9-6-14-5-8(9)11/h3-4,7-9H,5-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole?
1-[(3R,4S)-4-fluorooxolan-3-yl]-2-propan-2-ylimidazole has a molecular weight of 198.24 g/mol, XLogP of 1.92, 2 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]-2-propan-2-ylimidazole is sourced from PubChem (CID 126847908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).