4-(trifluoromethyl)-2,3-dihydro-1H-imidazole

C4H5F3N2 — CID 123345542

IUPAC4-(trifluoromethyl)-2,3-dihydro-1H-imidazole
SMILESFC(F)(F)C1=CNCN1
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3-1-8-2-9-3/h1,8-9H,2H2
InChIKeyBUDVFXWIOONFTF-UHFFFAOYSA-N
MW138.09 g/mol
LogP0.54
Rot. Bonds

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

4-(trifluoromethyl)-2,3-dihydro-1H-imidazole (PubChem CID 123345542) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,3-dihydro-1H-imidazole
PubChem CID123345542
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name4-(trifluoromethyl)-2,3-dihydro-1H-imidazole
SMILESFC(F)(F)C1=CNCN1
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3-1-8-2-9-3/h1,8-9H,2H2
InChIKeyBUDVFXWIOONFTF-UHFFFAOYSA-N
XLogP0.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole (CID 123345542) is 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole is FC(F)(F)C1=CNCN1.
What is the InChIKey of 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The InChIKey is BUDVFXWIOONFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2/c5-4(6,7)3-1-8-2-9-3/h1,8-9H,2H2.
What are the key properties of 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
4-(trifluoromethyl)-2,3-dihydro-1H-imidazole has a molecular weight of 138.09 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 123345542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).