(2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine

C11H13FN4 — CID 71050037

IUPAC(2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine
SMILESN[C@H](CF)Cc1ccc(-n2ccnn2)cc1
InChIInChI=1S/C11H13FN4/c12-8-10(13)7-9-1-3-11(4-2-9)16-6-5-14-15-16/h1-6,10H,7-8,13H2/t10-/m0/s1
InChIKeyHZYYNONCMVGZKL-JTQLQIEISA-N
MW220.25 g/mol
LogP1.11
Rot. Bonds4

About (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine

(2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine (PubChem CID 71050037) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine
PubChem CID71050037
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name(2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine
SMILESN[C@H](CF)Cc1ccc(-n2ccnn2)cc1
InChIInChI=1S/C11H13FN4/c12-8-10(13)7-9-1-3-11(4-2-9)16-6-5-14-15-16/h1-6,10H,7-8,13H2/t10-/m0/s1
InChIKeyHZYYNONCMVGZKL-JTQLQIEISA-N
XLogP1.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine (CID 71050037) is (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine is N[C@H](CF)Cc1ccc(-n2ccnn2)cc1.
What is the InChIKey of (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine?
The InChIKey is HZYYNONCMVGZKL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13FN4/c12-8-10(13)7-9-1-3-11(4-2-9)16-6-5-14-15-16/h1-6,10H,7-8,13H2/t10-/m0/s1.
What are the key properties of (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine?
(2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine has a molecular weight of 220.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-[4-(triazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 71050037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).