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

C9H13FN2O — CID 126847905

IUPAC2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole
SMILESCCc1nccn1[C@@H]1COC[C@H]1F
InChIInChI=1S/C9H13FN2O/c1-2-9-11-3-4-12(9)8-6-13-5-7(8)10/h3-4,7-8H,2,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyLQSIWNZIMVAUHF-HTQZYQBOSA-N
MW184.21 g/mol
LogP1.35
Rot. Bonds2

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

2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole (PubChem CID 126847905) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole
PubChem CID126847905
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole
SMILESCCc1nccn1[C@@H]1COC[C@H]1F
InChIInChI=1S/C9H13FN2O/c1-2-9-11-3-4-12(9)8-6-13-5-7(8)10/h3-4,7-8H,2,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyLQSIWNZIMVAUHF-HTQZYQBOSA-N
XLogP1.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole?
The IUPAC name of 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole (CID 126847905) is 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole.
What is the SMILES notation for 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole?
The canonical SMILES for 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole is CCc1nccn1[C@@H]1COC[C@H]1F.
What is the InChIKey of 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole?
The InChIKey is LQSIWNZIMVAUHF-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-2-9-11-3-4-12(9)8-6-13-5-7(8)10/h3-4,7-8H,2,5-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole?
2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole has a molecular weight of 184.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(3R,4S)-4-fluorooxolan-3-yl]imidazole is sourced from PubChem (CID 126847905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).