2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride

C8H10ClF2NO2 — CID 171253179

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
SMILESCl.N[C@@H](CO)c1c(O)cc(F)cc1F
InChIInChI=1S/C8H9F2NO2.ClH/c9-4-1-5(10)8(6(11)3-12)7(13)2-4;/h1-2,6,12-13H,3,11H2;1H/t6-;/m0./s1
InChIKeyDMAIOKHAEOFISL-RGMNGODLSA-N
MW225.62 g/mol
LogP1.08
Rot. Bonds2

About 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride

2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride (PubChem CID 171253179) has the molecular formula C8H10ClF2NO2 and a molecular weight of 225.62 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
PubChem CID171253179
Molecular FormulaC8H10ClF2NO2
Molecular Weight225.62 g/mol
Exact Mass225.04
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
SMILESCl.N[C@@H](CO)c1c(O)cc(F)cc1F
InChIInChI=1S/C8H9F2NO2.ClH/c9-4-1-5(10)8(6(11)3-12)7(13)2-4;/h1-2,6,12-13H,3,11H2;1H/t6-;/m0./s1
InChIKeyDMAIOKHAEOFISL-RGMNGODLSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.62
LogP ≤ 51.08
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

2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol
CID 66513917
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
2-[(1R)-1-amino-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256534
2-[(1R)-1-amino-3-methylbutyl]-3,5-difluorophenol;hydrochloride
CID 171256551
2-[(1R)-1-amino-3-methylbut-3-enyl]-3,5-difluorophenol;hydrochloride
CID 171256557
(3R)-3-amino-3-(2,4-difluoro-6-hydroxyphenyl)propanenitrile
CID 55273671
2-[(1R)-1-aminopent-4-enyl]-3,5-difluorophenol;hydrochloride
CID 171256554
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256549
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-3,5-difluorophenol
CID 66511522
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride (CID 171253179) is 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride is Cl.N[C@@H](CO)c1c(O)cc(F)cc1F.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride?
The InChIKey is DMAIOKHAEOFISL-RGMNGODLSA-N. The full InChI is InChI=1S/C8H9F2NO2.ClH/c9-4-1-5(10)8(6(11)3-12)7(13)2-4;/h1-2,6,12-13H,3,11H2;1H/t6-;/m0./s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride?
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride has a molecular weight of 225.62 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride is sourced from PubChem (CID 171253179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).