5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol

C9H12FNO2 — CID 130859320

IUPAC5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
SMILESC[C@@H](O)[C@H](N)c1ccc(F)c(O)c1
InChIInChI=1S/C9H12FNO2/c1-5(12)9(11)6-2-3-7(10)8(13)4-6/h2-5,9,12-13H,11H2,1H3/t5-,9+/m1/s1
InChIKeyFKBNNJMJRQQBOR-ANLVUFKYSA-N
MW185.20 g/mol
LogP0.91
Rot. Bonds2

About 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol

5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol (PubChem CID 130859320) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol.

Molecular Properties

Compound Name5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
PubChem CID130859320
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
SMILESC[C@@H](O)[C@H](N)c1ccc(F)c(O)c1
InChIInChI=1S/C9H12FNO2/c1-5(12)9(11)6-2-3-7(10)8(13)4-6/h2-5,9,12-13H,11H2,1H3/t5-,9+/m1/s1
InChIKeyFKBNNJMJRQQBOR-ANLVUFKYSA-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-hydroxypropyl]-2-fluorophenol
CID 55270469
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(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-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
5-(1-amino-2-hydroxypropyl)-2-bromophenol
CID 130041665
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol?
The IUPAC name of 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol (CID 130859320) is 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol.
What is the SMILES notation for 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol?
The canonical SMILES for 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol is C[C@@H](O)[C@H](N)c1ccc(F)c(O)c1.
What is the InChIKey of 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol?
The InChIKey is FKBNNJMJRQQBOR-ANLVUFKYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5(12)9(11)6-2-3-7(10)8(13)4-6/h2-5,9,12-13H,11H2,1H3/t5-,9+/m1/s1.
What are the key properties of 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol?
5-[(1R,2R)-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 5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol is sourced from PubChem (CID 130859320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).