[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol

C10H12FNO — CID 131196207

IUPAC[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol
SMILESC=C[C@H](N)c1ccc(CO)c(F)c1
InChIInChI=1S/C10H12FNO/c1-2-10(12)7-3-4-8(6-13)9(11)5-7/h2-5,10,13H,1,6,12H2/t10-/m0/s1
InChIKeyIQPQIZZMSRKRMV-JTQLQIEISA-N
MW181.21 g/mol
LogP1.50
Rot. Bonds3

About [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol

[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol (PubChem CID 131196207) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol
PubChem CID131196207
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol
SMILESC=C[C@H](N)c1ccc(CO)c(F)c1
InChIInChI=1S/C10H12FNO/c1-2-10(12)7-3-4-8(6-13)9(11)5-7/h2-5,10,13H,1,6,12H2/t10-/m0/s1
InChIKeyIQPQIZZMSRKRMV-JTQLQIEISA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.50
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-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol?
The IUPAC name of [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol (CID 131196207) is [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol.
What is the SMILES notation for [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol?
The canonical SMILES for [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol is C=C[C@H](N)c1ccc(CO)c(F)c1.
What is the InChIKey of [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol?
The InChIKey is IQPQIZZMSRKRMV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-10(12)7-3-4-8(6-13)9(11)5-7/h2-5,10,13H,1,6,12H2/t10-/m0/s1.
What are the key properties of [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol?
[4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol has a molecular weight of 181.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-aminoprop-2-enyl]-2-fluorophenyl]methanol is sourced from PubChem (CID 131196207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).