4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole

C7H11F3N2 — CID 86341778

IUPAC4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole
SMILESCC1=CNC(CCC(F)(F)F)N1
InChIInChI=1S/C7H11F3N2/c1-5-4-11-6(12-5)2-3-7(8,9)10/h4,6,11-12H,2-3H2,1H3
InChIKeyBSFQLPPVRAIURB-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.71
Rot. Bonds2

About 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole

4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole (PubChem CID 86341778) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole
PubChem CID86341778
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole
SMILESCC1=CNC(CCC(F)(F)F)N1
InChIInChI=1S/C7H11F3N2/c1-5-4-11-6(12-5)2-3-7(8,9)10/h4,6,11-12H,2-3H2,1H3
InChIKeyBSFQLPPVRAIURB-UHFFFAOYSA-N
XLogP1.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole (CID 86341778) is 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole is CC1=CNC(CCC(F)(F)F)N1.
What is the InChIKey of 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole?
The InChIKey is BSFQLPPVRAIURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5-4-11-6(12-5)2-3-7(8,9)10/h4,6,11-12H,2-3H2,1H3.
What are the key properties of 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole?
4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole has a molecular weight of 180.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 86341778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).