1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole

C5H6F4N2 — CID 173378986

IUPAC1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESFCN1C=NC(C(F)(F)F)C1
InChIInChI=1S/C5H6F4N2/c6-2-11-1-4(10-3-11)5(7,8)9/h3-4H,1-2H2
InChIKeyZVPHDNYNLJVNAO-UHFFFAOYSA-N
MW170.11 g/mol
LogP1.19
Rot. Bonds1

About 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole

1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 173378986) has the molecular formula C5H6F4N2 and a molecular weight of 170.11 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID173378986
Molecular FormulaC5H6F4N2
Molecular Weight170.11 g/mol
Exact Mass170.05
IUPAC Name1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESFCN1C=NC(C(F)(F)F)C1
InChIInChI=1S/C5H6F4N2/c6-2-11-1-4(10-3-11)5(7,8)9/h3-4H,1-2H2
InChIKeyZVPHDNYNLJVNAO-UHFFFAOYSA-N
XLogP1.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole (CID 173378986) is 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole is FCN1C=NC(C(F)(F)F)C1.
What is the InChIKey of 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is ZVPHDNYNLJVNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4N2/c6-2-11-1-4(10-3-11)5(7,8)9/h3-4H,1-2H2.
What are the key properties of 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole?
1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 170.11 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173378986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).