4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol

C9H12FNO2 — CID 55270468

IUPAC4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
SMILESC[C@H](O)[C@H](N)c1ccc(O)cc1F
InChIInChI=1S/C9H12FNO2/c1-5(12)9(11)7-3-2-6(13)4-8(7)10/h2-5,9,12-13H,11H2,1H3/t5-,9-/m0/s1
InChIKeyGSUPQKXDKROARR-CDUCUWFYSA-N
MW185.20 g/mol
LogP0.91
Rot. Bonds2

About 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol

4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol (PubChem CID 55270468) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
PubChem CID55270468
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
SMILESC[C@H](O)[C@H](N)c1ccc(O)cc1F
InChIInChI=1S/C9H12FNO2/c1-5(12)9(11)7-3-2-6(13)4-8(7)10/h2-5,9,12-13H,11H2,1H3/t5-,9-/m0/s1
InChIKeyGSUPQKXDKROARR-CDUCUWFYSA-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

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Related Compounds

4-(1-amino-2-methylpropyl)-3-fluorophenol
CID 55282884
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-3-fluorophenol
CID 171266739
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-fluorophenol
CID 171266743
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 131037954
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171266996

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol (CID 55270468) is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol is C[C@H](O)[C@H](N)c1ccc(O)cc1F.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol?
The InChIKey is GSUPQKXDKROARR-CDUCUWFYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5(12)9(11)7-3-2-6(13)4-8(7)10/h2-5,9,12-13H,11H2,1H3/t5-,9-/m0/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol?
4-[(1R,2S)-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 4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol is sourced from PubChem (CID 55270468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).