2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol

C11H14FNO — CID 171198968

IUPAC2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
SMILESC=CCC[C@@H](N)c1cc(F)ccc1O
InChIInChI=1S/C11H14FNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h2,5-7,10,14H,1,3-4,13H2/t10-/m1/s1
InChIKeyXTFFHNJXILKCQM-SNVBAGLBSA-N
MW195.24 g/mol
LogP2.50
Rot. Bonds4

About 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol

2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol (PubChem CID 171198968) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
PubChem CID171198968
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
SMILESC=CCC[C@@H](N)c1cc(F)ccc1O
InChIInChI=1S/C11H14FNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h2,5-7,10,14H,1,3-4,13H2/t10-/m1/s1
InChIKeyXTFFHNJXILKCQM-SNVBAGLBSA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminobut-3-enyl)-4-fluorophenol;hydrochloride
CID 162344629
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
CID 171217147
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171257284
2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475
2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
CID 171198955
2-[(1R)-1-aminopent-4-enyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257033
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol
CID 171219662
4-[(1S)-1-aminopent-4-enyl]-2-fluorophenol;hydrochloride
CID 171218283
2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
CID 171313455
4-[(1S)-1-aminopent-4-enyl]benzene-1,3-diol;hydrochloride
CID 171219663
2-[(1S)-1-aminopent-4-enyl]-4-fluoro-6-nitrophenol;hydrochloride
CID 171255499

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol?
The IUPAC name of 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol (CID 171198968) is 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol.
What is the SMILES notation for 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol?
The canonical SMILES for 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol is C=CCC[C@@H](N)c1cc(F)ccc1O.
What is the InChIKey of 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol?
The InChIKey is XTFFHNJXILKCQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h2,5-7,10,14H,1,3-4,13H2/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol?
2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol has a molecular weight of 195.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopent-4-enyl]-4-fluorophenol is sourced from PubChem (CID 171198968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).