[2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium

C5H10FN3+2 — CID 23236973

IUPAC[2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium
SMILES[NH3+]CC(F)C1=C[NH2+]C=N1
InChIInChI=1S/C5H8FN3/c6-4(1-7)5-2-8-3-9-5/h2-4H,1,7H2,(H,8,9)/p+2
InChIKeyZWWQNZLDQCQJDX-UHFFFAOYSA-P
MW131.15 g/mol
LogP-1.99
Rot. Bonds2

About [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium

[2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium (PubChem CID 23236973) has the molecular formula C5H10FN3+2 and a molecular weight of 131.15 g/mol. Its IUPAC name is [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium
PubChem CID23236973
Molecular FormulaC5H10FN3+2
Molecular Weight131.15 g/mol
Exact Mass131.08
IUPAC Name[2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium
SMILES[NH3+]CC(F)C1=C[NH2+]C=N1
InChIInChI=1S/C5H8FN3/c6-4(1-7)5-2-8-3-9-5/h2-4H,1,7H2,(H,8,9)/p+2
InChIKeyZWWQNZLDQCQJDX-UHFFFAOYSA-P
XLogP-1.99
TPSA56.61 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(fluoromethyl)-1-methanidyl-1H-imidazol-1-ium
CID 154595149
N-[(E)-1-aminoprop-1-en-2-yl]-N'-(1-fluoroethyl)methanimidamide
CID 173795794
2-(1H-imidazol-1-ium-4-yl)ethylazanium;dichloride
CID 11309913
[2,2-difluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium
CID 23236972
[(2S)-1-(1-methyl-1H-imidazol-1-ium-4-yl)propan-2-yl]azanium
CID 60105785
2-(1-oxido-1H-imidazol-1-ium-4-yl)ethanamine
CID 175248986
[2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium dichloride
CID 11435612

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium?
The IUPAC name of [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium (CID 23236973) is [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium.
What is the SMILES notation for [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium?
The canonical SMILES for [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium is [NH3+]CC(F)C1=C[NH2+]C=N1.
What is the InChIKey of [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium?
The InChIKey is ZWWQNZLDQCQJDX-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H8FN3/c6-4(1-7)5-2-8-3-9-5/h2-4H,1,7H2,(H,8,9)/p+2.
What are the key properties of [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium?
[2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium has a molecular weight of 131.15 g/mol, XLogP of -1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-2-(1H-imidazol-1-ium-4-yl)ethyl]azanium is sourced from PubChem (CID 23236973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).