(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine

C11H11F2N3 — CID 104942363

IUPAC(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1-c1cccc(F)c1F
InChIInChI=1S/C11H11F2N3/c1-7(14)10-5-15-6-16(10)9-4-2-3-8(12)11(9)13/h2-7H,14H2,1H3/t7-/m0/s1
InChIKeyOFVHRSUYWNHZMR-ZETCQYMHSA-N
MW223.23 g/mol
LogP2.17
Rot. Bonds2

About (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine (PubChem CID 104942363) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine
PubChem CID104942363
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1-c1cccc(F)c1F
InChIInChI=1S/C11H11F2N3/c1-7(14)10-5-15-6-16(10)9-4-2-3-8(12)11(9)13/h2-7H,14H2,1H3/t7-/m0/s1
InChIKeyOFVHRSUYWNHZMR-ZETCQYMHSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine (CID 104942363) is (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1-c1cccc(F)c1F.
What is the InChIKey of (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is OFVHRSUYWNHZMR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-7(14)10-5-15-6-16(10)9-4-2-3-8(12)11(9)13/h2-7H,14H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 223.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2,3-difluorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).