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

C9H11F2NO2 — CID 84777095

IUPAC3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
SMILESCC(N)C(O)c1c(F)ccc(O)c1F
InChIInChI=1S/C9H11F2NO2/c1-4(12)9(14)7-5(10)2-3-6(13)8(7)11/h2-4,9,13-14H,12H2,1H3
InChIKeyGDNCCVNJPBDIPO-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.05
Rot. Bonds2

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

3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol (PubChem CID 84777095) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol.

Molecular Properties

Compound Name3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
PubChem CID84777095
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
SMILESCC(N)C(O)c1c(F)ccc(O)c1F
InChIInChI=1S/C9H11F2NO2/c1-4(12)9(14)7-5(10)2-3-6(13)8(7)11/h2-4,9,13-14H,12H2,1H3
InChIKeyGDNCCVNJPBDIPO-UHFFFAOYSA-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

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Related Compounds

2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
2,4-difluoro-3-propan-2-ylphenol
CID 147438122
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol
CID 84776108
2-[(1S,2R)-2-amino-1-hydroxypropyl]benzene-1,3-diol
CID 130806183
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
4-[(1R)-1-amino-2-methylpropyl]-2,3-difluorophenol
CID 130690034
2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol
CID 84791246

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol?
The IUPAC name of 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol (CID 84777095) is 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol.
What is the SMILES notation for 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol?
The canonical SMILES for 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol is CC(N)C(O)c1c(F)ccc(O)c1F.
What is the InChIKey of 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol?
The InChIKey is GDNCCVNJPBDIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-4(12)9(14)7-5(10)2-3-6(13)8(7)11/h2-4,9,13-14H,12H2,1H3.
What are the key properties of 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol?
3-(2-amino-1-hydroxypropyl)-2,4-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 3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol is sourced from PubChem (CID 84777095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).