4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol

C9H12FNO3 — CID 84776108

IUPAC4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol
SMILESCC(N)C(O)c1ccc(O)c(F)c1O
InChIInChI=1S/C9H12FNO3/c1-4(11)8(13)5-2-3-6(12)7(10)9(5)14/h2-4,8,12-14H,11H2,1H3
InChIKeyYWSXCRKZIMCOLO-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.62
Rot. Bonds2

About 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol

4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol (PubChem CID 84776108) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol
PubChem CID84776108
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol
SMILESCC(N)C(O)c1ccc(O)c(F)c1O
InChIInChI=1S/C9H12FNO3/c1-4(11)8(13)5-2-3-6(12)7(10)9(5)14/h2-4,8,12-14H,11H2,1H3
InChIKeyYWSXCRKZIMCOLO-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(1-hydroxyethyl)benzene-1,3-diol
CID 117276916
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
4-(1-aminopropyl)-2-fluorobenzene-1,3-diol
CID 130062351
2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
CID 164658455
4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
CID 130690034
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
CID 171253098
4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
CID 84806446
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol?
The IUPAC name of 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol (CID 84776108) is 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol is CC(N)C(O)c1ccc(O)c(F)c1O.
What is the InChIKey of 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol?
The InChIKey is YWSXCRKZIMCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-4(11)8(13)5-2-3-6(12)7(10)9(5)14/h2-4,8,12-14H,11H2,1H3.
What are the key properties of 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol?
4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol has a molecular weight of 201.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol is sourced from PubChem (CID 84776108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).