1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole

C6H8F4N2 — CID 173378873

IUPAC1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
SMILESFCN1C=NC(CC(F)(F)F)C1
InChIInChI=1S/C6H8F4N2/c7-3-12-2-5(11-4-12)1-6(8,9)10/h4-5H,1-3H2
InChIKeyPBLBKMWLOGJFMW-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.58
Rot. Bonds2

About 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole

1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole (PubChem CID 173378873) has the molecular formula C6H8F4N2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
PubChem CID173378873
Molecular FormulaC6H8F4N2
Molecular Weight184.14 g/mol
Exact Mass184.06
IUPAC Name1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
SMILESFCN1C=NC(CC(F)(F)F)C1
InChIInChI=1S/C6H8F4N2/c7-3-12-2-5(11-4-12)1-6(8,9)10/h4-5H,1-3H2
InChIKeyPBLBKMWLOGJFMW-UHFFFAOYSA-N
XLogP1.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.58
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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Related Compounds

1-Methyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4,5-dihydroimidazol-1-ium
CID 91291789
1-Methyl-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 123358722
1-Methyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 123407947
1-(3,3-Difluorocyclobutyl)-4,5-dihydroimidazole
CID 167316525
1-(Difluoromethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378772
4-Ethyl-1-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole
CID 173378802
1-(2-Fluoroethyl)-4-(fluoromethyl)-4,5-dihydroimidazole
CID 173378803
1-(Difluoromethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378807
1-(Difluoromethyl)-4,5-dihydroimidazole-4-carbonitrile
CID 173378810
4-(Difluoromethyl)-1-methyl-4,5-dihydroimidazole
CID 173378835
1,4-Bis(fluoromethyl)-4,5-dihydroimidazole
CID 173378840
1-(2,2-Difluoroethyl)-4-(difluoromethyl)-4,5-dihydroimidazole
CID 173378880

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole (CID 173378873) is 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole is FCN1C=NC(CC(F)(F)F)C1.
What is the InChIKey of 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
The InChIKey is PBLBKMWLOGJFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2/c7-3-12-2-5(11-4-12)1-6(8,9)10/h4-5H,1-3H2.
What are the key properties of 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole?
1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole has a molecular weight of 184.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173378873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).