5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol

C8H9F2NO2 — CID 130642566

IUPAC5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
SMILESN[C@H](c1cc(O)cc(O)c1)C(F)F
InChIInChI=1S/C8H9F2NO2/c9-8(10)7(11)4-1-5(12)3-6(13)2-4/h1-3,7-8,12-13H,11H2/t7-/m1/s1
InChIKeyUXOFXGQIJMEUBK-SSDOTTSWSA-N
MW189.16 g/mol
LogP1.36
Rot. Bonds2

About 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol

5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol (PubChem CID 130642566) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
PubChem CID130642566
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol
SMILESN[C@H](c1cc(O)cc(O)c1)C(F)F
InChIInChI=1S/C8H9F2NO2/c9-8(10)7(11)4-1-5(12)3-6(13)2-4/h1-3,7-8,12-13H,11H2/t7-/m1/s1
InChIKeyUXOFXGQIJMEUBK-SSDOTTSWSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
3-[(1R)-1-amino-2-methylpropyl]-5-fluorophenol
CID 55274065
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
CID 131086526
5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol
CID 171266816
4-[(1S)-1-amino-2,2-difluoroethyl]-3,5-dimethylphenol
CID 130682561
5-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,3-diol;hydrochloride
CID 171261128
(1S)-1-(3,5-dichlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247214
5-[(1R,2S)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171261146
5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol?
The IUPAC name of 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol (CID 130642566) is 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol?
The canonical SMILES for 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol is N[C@H](c1cc(O)cc(O)c1)C(F)F.
What is the InChIKey of 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol?
The InChIKey is UXOFXGQIJMEUBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-8(10)7(11)4-1-5(12)3-6(13)2-4/h1-3,7-8,12-13H,11H2/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol?
5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol has a molecular weight of 189.16 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2,2-difluoroethyl]benzene-1,3-diol is sourced from PubChem (CID 130642566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).