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

C9H12FNO2 — CID 55270469

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

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

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol (PubChem CID 55270469) 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]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
PubChem CID55270469
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
SMILESC[C@H](O)[C@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO2/c1-5(12)9(11)6-2-3-8(13)7(10)4-6/h2-5,9,12-13H,11H2,1H3/t5-,9-/m0/s1
InChIKeyIPHJRVKIDOKTHD-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-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
CID 69010360
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol (CID 55270469) is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol is C[C@H](O)[C@H](N)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol?
The InChIKey is IPHJRVKIDOKTHD-CDUCUWFYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5(12)9(11)6-2-3-8(13)7(10)4-6/h2-5,9,12-13H,11H2,1H3/t5-,9-/m0/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol?
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-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]-2-fluorophenol is sourced from PubChem (CID 55270469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).