4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol

C10H12FNO — CID 130642413

IUPAC4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol
SMILESC=C[C@](C)(N)c1ccc(O)cc1F
InChIInChI=1S/C10H12FNO/c1-3-10(2,12)8-5-4-7(13)6-9(8)11/h3-6,13H,1,12H2,2H3/t10-/m0/s1
InChIKeyAKYIKSLPNOAWFP-JTQLQIEISA-N
MW181.21 g/mol
LogP1.89
Rot. Bonds2

About 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol

4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol (PubChem CID 130642413) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol
PubChem CID130642413
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol
SMILESC=C[C@](C)(N)c1ccc(O)cc1F
InChIInChI=1S/C10H12FNO/c1-3-10(2,12)8-5-4-7(13)6-9(8)11/h3-6,13H,1,12H2,2H3/t10-/m0/s1
InChIKeyAKYIKSLPNOAWFP-JTQLQIEISA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol?
The IUPAC name of 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol (CID 130642413) is 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol.
What is the SMILES notation for 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol?
The canonical SMILES for 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol is C=C[C@](C)(N)c1ccc(O)cc1F.
What is the InChIKey of 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol?
The InChIKey is AKYIKSLPNOAWFP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO/c1-3-10(2,12)8-5-4-7(13)6-9(8)11/h3-6,13H,1,12H2,2H3/t10-/m0/s1.
What are the key properties of 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol?
4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol has a molecular weight of 181.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminobut-3-en-2-yl]-3-fluorophenol is sourced from PubChem (CID 130642413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).