2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol

C9H11F2NO2 — CID 84671264

IUPAC2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
SMILESNCCC(O)c1c(O)ccc(F)c1F
InChIInChI=1S/C9H11F2NO2/c10-5-1-2-6(13)8(9(5)11)7(14)3-4-12/h1-2,7,13-14H,3-4,12H2
InChIKeyWBDWOSCQTBZFLI-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.05
Rot. Bonds3

About 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol

2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol (PubChem CID 84671264) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol.

Molecular Properties

Compound Name2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
PubChem CID84671264
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
SMILESNCCC(O)c1c(O)ccc(F)c1F
InChIInChI=1S/C9H11F2NO2/c10-5-1-2-6(13)8(9(5)11)7(14)3-4-12/h1-2,7,13-14H,3-4,12H2
InChIKeyWBDWOSCQTBZFLI-UHFFFAOYSA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol
CID 84776107
2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
CID 84783831
3-(3-amino-1-hydroxypropyl)-2-fluoro-4-methoxyphenol
CID 84783832
2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
CID 84711168
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
5-(3-amino-1-hydroxypropyl)-2-fluorophenol
CID 84769630
3,4-difluoro-2-propan-2-ylphenol
CID 130384199
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluorophenol
CID 83882618
2-(1-amino-4-methylpentan-3-yl)-3-fluorobenzene-1,4-diol
CID 84791489
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol
CID 84778809

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol?
The IUPAC name of 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol (CID 84671264) is 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol.
What is the SMILES notation for 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol?
The canonical SMILES for 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol is NCCC(O)c1c(O)ccc(F)c1F.
What is the InChIKey of 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol?
The InChIKey is WBDWOSCQTBZFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c10-5-1-2-6(13)8(9(5)11)7(14)3-4-12/h1-2,7,13-14H,3-4,12H2.
What are the key properties of 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol?
2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol has a molecular weight of 203.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol is sourced from PubChem (CID 84671264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).