2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol

C9H11FN2O — CID 130804785

IUPAC2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
SMILESC=C[C@H](N)c1cc(F)cc(N)c1O
InChIInChI=1S/C9H11FN2O/c1-2-7(11)6-3-5(10)4-8(12)9(6)13/h2-4,7,13H,1,11-12H2/t7-/m0/s1
InChIKeyPOPULYONOIQSCQ-ZETCQYMHSA-N
MW182.20 g/mol
LogP1.30
Rot. Bonds2

About 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol

2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol (PubChem CID 130804785) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol.

Molecular Properties

Compound Name2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
PubChem CID130804785
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
SMILESC=C[C@H](N)c1cc(F)cc(N)c1O
InChIInChI=1S/C9H11FN2O/c1-2-7(11)6-3-5(10)4-8(12)9(6)13/h2-4,7,13H,1,11-12H2/t7-/m0/s1
InChIKeyPOPULYONOIQSCQ-ZETCQYMHSA-N
XLogP1.30
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(1R)-1-aminoprop-2-enyl]-4-fluorophenol;hydrochloride
CID 171257243
2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171257284
2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol
CID 66511506
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
CID 171253901
2-amino-6-[(1S)-1-amino-3-methylbut-3-enyl]-4-fluorophenol
CID 171253945
(1S)-1-(2,3-dichloro-5-fluorophenyl)prop-2-en-1-amine
CID 130782154
(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55291930
1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55283662
2-amino-6-[(1S)-1-amino-3-methylbutyl]-4-fluorophenol
CID 171253937
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253734
4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline
CID 130653523

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol?
The IUPAC name of 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol (CID 130804785) is 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol.
What is the SMILES notation for 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol?
The canonical SMILES for 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol is C=C[C@H](N)c1cc(F)cc(N)c1O.
What is the InChIKey of 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol?
The InChIKey is POPULYONOIQSCQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-2-7(11)6-3-5(10)4-8(12)9(6)13/h2-4,7,13H,1,11-12H2/t7-/m0/s1.
What are the key properties of 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol?
2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol has a molecular weight of 182.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol is sourced from PubChem (CID 130804785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).