fluoroform;1H-imidazol-1-ium

C4H6F3N2+ — CID 158553965

IUPACfluoroform;1H-imidazol-1-ium
SMILESC1=C[NH2+]C=N1.FC(F)F
InChIInChI=1S/C3H4N2.CHF3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);1H/p+1
InChIKeyHQBASKSNZVZEQU-UHFFFAOYSA-O
MW139.10 g/mol
LogP0.24
Rot. Bonds

About fluoroform;1H-imidazol-1-ium

fluoroform;1H-imidazol-1-ium (PubChem CID 158553965) has the molecular formula C4H6F3N2+ and a molecular weight of 139.10 g/mol. Its IUPAC name is fluoroform;1H-imidazol-1-ium.

Molecular Properties

Compound Namefluoroform;1H-imidazol-1-ium
PubChem CID158553965
Molecular FormulaC4H6F3N2+
Molecular Weight139.10 g/mol
Exact Mass139.05
IUPAC Namefluoroform;1H-imidazol-1-ium
SMILESC1=C[NH2+]C=N1.FC(F)F
InChIInChI=1S/C3H4N2.CHF3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);1H/p+1
InChIKeyHQBASKSNZVZEQU-UHFFFAOYSA-O
XLogP0.24
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl 1h imidazolium fluoride
CID 69338659
4,4-difluoro-1H-pyrimidine
CID 66850004
N-ethenyl-2,2,2-trifluoro-N'-methylethanimidamide
CID 123521778
N-ethenyl-2,2,2-trifluoro-N'-(methyliminomethyl)ethanimidamide
CID 134191904
1-(1,1,2,2-tetrafluoroethyl)-1H-imidazol-1-ium;iodide
CID 140543541
1H-imidazol-1-ium;trifluoro(trifluoromethyl)boranuide
CID 143303364
1-methanidyl-4-(trifluoromethyl)-1H-imidazol-1-ium
CID 147696049
2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide
CID 166888833
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazol-1-ium
CID 172771596
N-ethenyl-N'-(1-fluoroethyl)methanimidamide
CID 173758901
N-ethenyl-2,2,2-trifluoro-N'-methanimidoylethanimidamide
CID 176527248
1H-imidazol-1-ium
CID 4434133

Frequently Asked Questions

What is the IUPAC name of fluoroform;1H-imidazol-1-ium?
The IUPAC name of fluoroform;1H-imidazol-1-ium (CID 158553965) is fluoroform;1H-imidazol-1-ium.
What is the SMILES notation for fluoroform;1H-imidazol-1-ium?
The canonical SMILES for fluoroform;1H-imidazol-1-ium is C1=C[NH2+]C=N1.FC(F)F.
What is the InChIKey of fluoroform;1H-imidazol-1-ium?
The InChIKey is HQBASKSNZVZEQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N2.CHF3/c1-2-5-3-4-1;2-1(3)4/h1-3H,(H,4,5);1H/p+1.
What are the key properties of fluoroform;1H-imidazol-1-ium?
fluoroform;1H-imidazol-1-ium has a molecular weight of 139.10 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;1H-imidazol-1-ium is sourced from PubChem (CID 158553965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).