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

C8H11FN2O — CID 126847909

IUPAC1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole
SMILESCc1nccn1[C@@H]1COC[C@H]1F
InChIInChI=1S/C8H11FN2O/c1-6-10-2-3-11(6)8-5-12-4-7(8)9/h2-3,7-8H,4-5H2,1H3/t7-,8-/m1/s1
InChIKeyNYOHDAWELJQENH-HTQZYQBOSA-N
MW170.19 g/mol
LogP1.10
Rot. Bonds1

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

1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole (PubChem CID 126847909) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole.

Molecular Properties

Compound Name1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole
PubChem CID126847909
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole
SMILESCc1nccn1[C@@H]1COC[C@H]1F
InChIInChI=1S/C8H11FN2O/c1-6-10-2-3-11(6)8-5-12-4-7(8)9/h2-3,7-8H,4-5H2,1H3/t7-,8-/m1/s1
InChIKeyNYOHDAWELJQENH-HTQZYQBOSA-N
XLogP1.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.10
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-methylimidazole?
The IUPAC name of 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole (CID 126847909) is 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole.
What is the SMILES notation for 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole?
The canonical SMILES for 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole is Cc1nccn1[C@@H]1COC[C@H]1F.
What is the InChIKey of 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole?
The InChIKey is NYOHDAWELJQENH-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-6-10-2-3-11(6)8-5-12-4-7(8)9/h2-3,7-8H,4-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of 1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole?
1-[(3R,4S)-4-fluorooxolan-3-yl]-2-methylimidazole has a molecular weight of 170.19 g/mol, XLogP of 1.10, 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]-2-methylimidazole is sourced from PubChem (CID 126847909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).