2-[(1R)-1-aminoethyl]-4,5-difluorophenol

C8H9F2NO — CID 55275252

IUPAC2-[(1R)-1-aminoethyl]-4,5-difluorophenol
SMILESC[C@@H](N)c1cc(F)c(F)cc1O
InChIInChI=1S/C8H9F2NO/c1-4(11)5-2-6(9)7(10)3-8(5)12/h2-4,12H,11H2,1H3/t4-/m1/s1
InChIKeyJVAOWFJPZYTSCV-SCSAIBSYSA-N
MW173.16 g/mol
LogP1.69
Rot. Bonds1

About 2-[(1R)-1-aminoethyl]-4,5-difluorophenol

2-[(1R)-1-aminoethyl]-4,5-difluorophenol (PubChem CID 55275252) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4,5-difluorophenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4,5-difluorophenol
PubChem CID55275252
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-[(1R)-1-aminoethyl]-4,5-difluorophenol
SMILESC[C@@H](N)c1cc(F)c(F)cc1O
InChIInChI=1S/C8H9F2NO/c1-4(11)5-2-6(9)7(10)3-8(5)12/h2-4,12H,11H2,1H3/t4-/m1/s1
InChIKeyJVAOWFJPZYTSCV-SCSAIBSYSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-difluorophenol
CID 131057025
2-[(1S)-1-aminobutyl]-4,5-difluorophenol
CID 130865865
2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426
4-amino-5-[(1R)-1-aminoethyl]-2-fluorophenol
CID 130643013
4-(1-aminoethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84778822
2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol
CID 55274847
2-[(1R)-1-aminoethyl]-4,6-difluorophenol
CID 130688365
2-[(1S)-1-aminoethyl]-4,6-difluorophenol
CID 55255860
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
2-(1-aminoethyl)-4-(2-fluorophenyl)phenol
CID 115038231
2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
CID 130699208
5-amino-2-[(1R)-1-aminoethyl]-4-chlorophenol
CID 130770948

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-4,5-difluorophenol?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4,5-difluorophenol (CID 55275252) is 2-[(1R)-1-aminoethyl]-4,5-difluorophenol.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4,5-difluorophenol?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4,5-difluorophenol is C[C@@H](N)c1cc(F)c(F)cc1O.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4,5-difluorophenol?
The InChIKey is JVAOWFJPZYTSCV-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-4(11)5-2-6(9)7(10)3-8(5)12/h2-4,12H,11H2,1H3/t4-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4,5-difluorophenol?
2-[(1R)-1-aminoethyl]-4,5-difluorophenol has a molecular weight of 173.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4,5-difluorophenol is sourced from PubChem (CID 55275252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).