5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol

C8H9F2NO2 — CID 117281266

IUPAC5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
SMILESNCC(O)c1cc(O)c(F)cc1F
InChIInChI=1S/C8H9F2NO2/c9-5-2-6(10)7(12)1-4(5)8(13)3-11/h1-2,8,12-13H,3,11H2
InChIKeyMXBQBLCGACPEIF-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.66
Rot. Bonds2

About 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol

5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol (PubChem CID 117281266) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
PubChem CID117281266
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
SMILESNCC(O)c1cc(O)c(F)cc1F
InChIInChI=1S/C8H9F2NO2/c9-5-2-6(10)7(12)1-4(5)8(13)3-11/h1-2,8,12-13H,3,11H2
InChIKeyMXBQBLCGACPEIF-UHFFFAOYSA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
CID 117312254
2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
3-(2-amino-1-hydroxyethyl)-4-fluorobenzenesulfonamide
CID 15383361
2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
CID 84769063
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
CID 84789353
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol (CID 117281266) is 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol is NCC(O)c1cc(O)c(F)cc1F.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol?
The InChIKey is MXBQBLCGACPEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-5-2-6(10)7(12)1-4(5)8(13)3-11/h1-2,8,12-13H,3,11H2.
What are the key properties of 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol?
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol has a molecular weight of 189.16 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol is sourced from PubChem (CID 117281266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).