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

C9H12FNO2 — CID 130739566

IUPAC2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
SMILESCC(O)[C@@H](N)c1c(O)cccc1F
InChIInChI=1S/C9H12FNO2/c1-5(12)9(11)8-6(10)3-2-4-7(8)13/h2-5,9,12-13H,11H2,1H3/t5?,9-/m1/s1
InChIKeyNIHRDHIZJKRGBG-OLAZFDQMSA-N
MW185.20 g/mol
LogP0.91
Rot. Bonds2

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

2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol (PubChem CID 130739566) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
PubChem CID130739566
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
SMILESCC(O)[C@@H](N)c1c(O)cccc1F
InChIInChI=1S/C9H12FNO2/c1-5(12)9(11)8-6(10)3-2-4-7(8)13/h2-5,9,12-13H,11H2,1H3/t5?,9-/m1/s1
InChIKeyNIHRDHIZJKRGBG-OLAZFDQMSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
3-fluoro-2-propan-2-ylphenol
CID 169008689
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
2-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,3-diol
CID 130806183
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol (CID 130739566) is 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol is CC(O)[C@@H](N)c1c(O)cccc1F.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol?
The InChIKey is NIHRDHIZJKRGBG-OLAZFDQMSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5(12)9(11)8-6(10)3-2-4-7(8)13/h2-5,9,12-13H,11H2,1H3/t5?,9-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol?
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol has a molecular weight of 185.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol is sourced from PubChem (CID 130739566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).