1-amino-3-(2,5-difluorophenoxy)propan-2-ol

C9H11F2NO2 — CID 63269333

IUPAC1-amino-3-(2,5-difluorophenoxy)propan-2-ol
SMILESNCC(O)COc1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO2/c10-6-1-2-8(11)9(3-6)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2
InChIKeyWBOXCMUIRYAOCZ-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.66
Rot. Bonds4

About 1-amino-3-(2,5-difluorophenoxy)propan-2-ol

1-amino-3-(2,5-difluorophenoxy)propan-2-ol (PubChem CID 63269333) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 1-amino-3-(2,5-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,5-difluorophenoxy)propan-2-ol
PubChem CID63269333
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name1-amino-3-(2,5-difluorophenoxy)propan-2-ol
SMILESNCC(O)COc1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO2/c10-6-1-2-8(11)9(3-6)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2
InChIKeyWBOXCMUIRYAOCZ-UHFFFAOYSA-N
XLogP0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
1-(3-aminophenoxy)-3-(2,5-difluorophenoxy)propan-2-ol
CID 63268739
1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol
CID 66793809
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 63269758
1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
CID 64855185

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,5-difluorophenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2,5-difluorophenoxy)propan-2-ol (CID 63269333) is 1-amino-3-(2,5-difluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2,5-difluorophenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2,5-difluorophenoxy)propan-2-ol is NCC(O)COc1cc(F)ccc1F.
What is the InChIKey of 1-amino-3-(2,5-difluorophenoxy)propan-2-ol?
The InChIKey is WBOXCMUIRYAOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c10-6-1-2-8(11)9(3-6)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2.
What are the key properties of 1-amino-3-(2,5-difluorophenoxy)propan-2-ol?
1-amino-3-(2,5-difluorophenoxy)propan-2-ol has a molecular weight of 203.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,5-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 63269333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).