5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol

C9H12FNO2 — CID 55270722

IUPAC5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
SMILESN[C@@H](CCO)c1ccc(F)c(O)c1
InChIInChI=1S/C9H12FNO2/c10-7-2-1-6(5-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2/t8-/m0/s1
InChIKeyFQHNCIRODQYJLS-QMMMGPOBSA-N
MW185.20 g/mol
LogP0.91
Rot. Bonds3

About 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol

5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol (PubChem CID 55270722) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol.

Molecular Properties

Compound Name5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
PubChem CID55270722
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
SMILESN[C@@H](CCO)c1ccc(F)c(O)c1
InChIInChI=1S/C9H12FNO2/c10-7-2-1-6(5-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2/t8-/m0/s1
InChIKeyFQHNCIRODQYJLS-QMMMGPOBSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271579
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
(3R)-3-amino-3-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55272189
5-(1-amino-3-hydroxypropyl)-2-iodophenol
CID 131028751
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533
5-(1-amino-3-hydroxypropyl)benzene-1,2,3-triol;hydrochloride
CID 170874409
5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride
CID 170874902
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol?
The IUPAC name of 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol (CID 55270722) is 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol.
What is the SMILES notation for 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol?
The canonical SMILES for 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol is N[C@@H](CCO)c1ccc(F)c(O)c1.
What is the InChIKey of 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol?
The InChIKey is FQHNCIRODQYJLS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12FNO2/c10-7-2-1-6(5-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2/t8-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol?
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol has a molecular weight of 185.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol is sourced from PubChem (CID 55270722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).