2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol

C9H11F2NO2 — CID 130730137

IUPAC2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol
SMILESC[C@@H](O)[C@H](N)c1cc(F)cc(F)c1O
InChIInChI=1S/C9H11F2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8+/m1/s1
InChIKeyHJBUIAHVQYGZQT-VHWMUFPASA-N
MW203.19 g/mol
LogP1.05
Rot. Bonds2

About 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol

2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol (PubChem CID 130730137) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol.

Molecular Properties

Compound Name2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol
PubChem CID130730137
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol
SMILESC[C@@H](O)[C@H](N)c1cc(F)cc(F)c1O
InChIInChI=1S/C9H11F2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8+/m1/s1
InChIKeyHJBUIAHVQYGZQT-VHWMUFPASA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.05
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-[(1S)-1-aminoethyl]-4,6-difluorophenol
CID 55255860
2-[(1R)-1-aminoethyl]-4,6-difluorophenol
CID 130688365
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-difluorophenol
CID 131057025
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
methanol;2,4,6-trifluorophenol
CID 145053745

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol?
The IUPAC name of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol (CID 130730137) is 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol.
What is the SMILES notation for 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol?
The canonical SMILES for 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol is C[C@@H](O)[C@H](N)c1cc(F)cc(F)c1O.
What is the InChIKey of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol?
The InChIKey is HJBUIAHVQYGZQT-VHWMUFPASA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-4(13)8(12)6-2-5(10)3-7(11)9(6)14/h2-4,8,13-14H,12H2,1H3/t4-,8+/m1/s1.
What are the key properties of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol?
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol has a molecular weight of 203.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,6-difluorophenol is sourced from PubChem (CID 130730137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).