2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine

C7H12FN3 — CID 84763864

IUPAC2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine
SMILESCC(F)c1ncc(CCN)[nH]1
InChIInChI=1S/C7H12FN3/c1-5(8)7-10-4-6(11-7)2-3-9/h4-5H,2-3,9H2,1H3,(H,10,11)
InChIKeyVWBHVEYRPPCBMM-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.94
Rot. Bonds3

About 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine

2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 84763864) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine
PubChem CID84763864
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine
SMILESCC(F)c1ncc(CCN)[nH]1
InChIInChI=1S/C7H12FN3/c1-5(8)7-10-4-6(11-7)2-3-9/h4-5H,2-3,9H2,1H3,(H,10,11)
InChIKeyVWBHVEYRPPCBMM-UHFFFAOYSA-N
XLogP0.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine (CID 84763864) is 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine is CC(F)c1ncc(CCN)[nH]1.
What is the InChIKey of 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is VWBHVEYRPPCBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-5(8)7-10-4-6(11-7)2-3-9/h4-5H,2-3,9H2,1H3,(H,10,11).
What are the key properties of 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine?
2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 157.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 84763864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).