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

C9H12FNO3 — CID 84776107

IUPAC2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol
SMILESNCCC(O)c1c(O)ccc(O)c1F
InChIInChI=1S/C9H12FNO3/c10-9-7(14)2-1-5(12)8(9)6(13)3-4-11/h1-2,6,12-14H,3-4,11H2
InChIKeyMMDRBCJVKWORFV-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.62
Rot. Bonds3

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

2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol (PubChem CID 84776107) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol.

Molecular Properties

Compound Name2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol
PubChem CID84776107
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol
SMILESNCCC(O)c1c(O)ccc(O)c1F
InChIInChI=1S/C9H12FNO3/c10-9-7(14)2-1-5(12)8(9)6(13)3-4-11/h1-2,6,12-14H,3-4,11H2
InChIKeyMMDRBCJVKWORFV-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
CID 84671264
3-(3-amino-1-hydroxypropyl)-2-fluoro-4-methoxyphenol
CID 84783832
2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
CID 84783831
2-(1-amino-4-methylpentan-3-yl)-3-fluorobenzene-1,4-diol
CID 84791489
2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
CID 84711168
5-(3-amino-1-hydroxypropyl)-2-fluorophenol
CID 84769630
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluorophenol
CID 83882618
3-amino-2-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 84785065
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol
CID 84778809
2,4-difluoro-3-propan-2-ylphenol
CID 147438122

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol?
The IUPAC name of 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol (CID 84776107) is 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol.
What is the SMILES notation for 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol?
The canonical SMILES for 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol is NCCC(O)c1c(O)ccc(O)c1F.
What is the InChIKey of 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol?
The InChIKey is MMDRBCJVKWORFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c10-9-7(14)2-1-5(12)8(9)6(13)3-4-11/h1-2,6,12-14H,3-4,11H2.
What are the key properties of 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol?
2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol has a molecular weight of 201.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol is sourced from PubChem (CID 84776107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).