2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole

C10H13F3N2O2 — CID 90029596

IUPAC2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESCOC1(c2ncc(C(F)(F)F)[nH]2)CCOCC1
InChIInChI=1S/C10H13F3N2O2/c1-16-9(2-4-17-5-3-9)8-14-6-7(15-8)10(11,12)13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyPSRRPVRSTSGRAX-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.08
Rot. Bonds2

About 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole

2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 90029596) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID90029596
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole
SMILESCOC1(c2ncc(C(F)(F)F)[nH]2)CCOCC1
InChIInChI=1S/C10H13F3N2O2/c1-16-9(2-4-17-5-3-9)8-14-6-7(15-8)10(11,12)13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyPSRRPVRSTSGRAX-UHFFFAOYSA-N
XLogP2.08
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole (CID 90029596) is 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole is COC1(c2ncc(C(F)(F)F)[nH]2)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is PSRRPVRSTSGRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-16-9(2-4-17-5-3-9)8-14-6-7(15-8)10(11,12)13/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole?
2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 250.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 90029596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).