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

C5H5F5N2 — CID 173379174

IUPAC4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole
SMILESFC(F)C1CN(C(F)(F)F)C=N1
InChIInChI=1S/C5H5F5N2/c6-4(7)3-1-12(2-11-3)5(8,9)10/h2-4H,1H2
InChIKeySDBUCNNKMRNWPS-UHFFFAOYSA-N
MW188.10 g/mol
LogP1.48
Rot. Bonds1

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

4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 173379174) has the molecular formula C5H5F5N2 and a molecular weight of 188.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID173379174
Molecular FormulaC5H5F5N2
Molecular Weight188.10 g/mol
Exact Mass188.04
IUPAC Name4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole
SMILESFC(F)C1CN(C(F)(F)F)C=N1
InChIInChI=1S/C5H5F5N2/c6-4(7)3-1-12(2-11-3)5(8,9)10/h2-4H,1H2
InChIKeySDBUCNNKMRNWPS-UHFFFAOYSA-N
XLogP1.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.10
LogP ≤ 51.48
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

4-ethyl-1-(trifluoromethyl)-4,5-dihydroimidazole
CID 173378998
1-(2,2-difluoroethyl)-4-(trifluoromethyl)-4,5-dihydroimidazole
CID 173379104
2-(trifluoromethyl)-1,3-dihydro-1,2,4-triazole-3-carbaldehyde
CID 174952010
1-(difluoromethyl)-4-ethyl-4,5-dihydroimidazole
CID 173378807
1-ethyl-3-(trifluoromethyl)-2H-imidazole
CID 66669616
1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66142466
(4S)-3-tert-butyl-4-(difluoromethyl)-1-methylpyrrolidine
CID 166056880
7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine
CID 173203016
4-(1,2,3,3,3-pentafluoropropyl)-2,6-bis(trifluoromethyl)morpholine
CID 162606326
4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 166602956
4-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 134384142
4-(1,2,3,3,3-pentafluoro-2-methylpropyl)-2,6-bis(trifluoromethyl)morpholine
CID 130218799

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole (CID 173379174) is 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole is FC(F)C1CN(C(F)(F)F)C=N1.
What is the InChIKey of 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is SDBUCNNKMRNWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5N2/c6-4(7)3-1-12(2-11-3)5(8,9)10/h2-4H,1H2.
What are the key properties of 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole?
4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 188.10 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 173379174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).