5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole

C9H11F3N2O — CID 162560356

IUPAC5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole
SMILESCn1cncc1C(OC1CC1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-14-5-13-4-7(14)8(9(10,11)12)15-6-2-3-6/h4-6,8H,2-3H2,1H3
InChIKeyRMEBSGRJLGSKFP-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.20
Rot. Bonds3

About 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole

5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole (PubChem CID 162560356) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole.

Molecular Properties

Compound Name5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole
PubChem CID162560356
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole
SMILESCn1cncc1C(OC1CC1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-14-5-13-4-7(14)8(9(10,11)12)15-6-2-3-6/h4-6,8H,2-3H2,1H3
InChIKeyRMEBSGRJLGSKFP-UHFFFAOYSA-N
XLogP2.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole?
The IUPAC name of 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole (CID 162560356) is 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole.
What is the SMILES notation for 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole?
The canonical SMILES for 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole is Cn1cncc1C(OC1CC1)C(F)(F)F.
What is the InChIKey of 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole?
The InChIKey is RMEBSGRJLGSKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-14-5-13-4-7(14)8(9(10,11)12)15-6-2-3-6/h4-6,8H,2-3H2,1H3.
What are the key properties of 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole?
5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole has a molecular weight of 220.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyloxy-2,2,2-trifluoroethyl)-1-methylimidazole is sourced from PubChem (CID 162560356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).