1-amino-1-(2,3-difluorophenyl)propan-2-ol

C9H11F2NO — CID 55273515

IUPAC1-amino-1-(2,3-difluorophenyl)propan-2-ol
SMILESCC(O)C(N)c1cccc(F)c1F
InChIInChI=1S/C9H11F2NO/c1-5(13)9(12)6-3-2-4-7(10)8(6)11/h2-5,9,13H,12H2,1H3
InChIKeyQGQMHGKLKBAITH-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.35
Rot. Bonds2

About 1-amino-1-(2,3-difluorophenyl)propan-2-ol

1-amino-1-(2,3-difluorophenyl)propan-2-ol (PubChem CID 55273515) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-amino-1-(2,3-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2,3-difluorophenyl)propan-2-ol
PubChem CID55273515
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-amino-1-(2,3-difluorophenyl)propan-2-ol
SMILESCC(O)C(N)c1cccc(F)c1F
InChIInChI=1S/C9H11F2NO/c1-5(13)9(12)6-3-2-4-7(10)8(6)11/h2-5,9,13H,12H2,1H3
InChIKeyQGQMHGKLKBAITH-UHFFFAOYSA-N
XLogP1.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777
(1R,2S)-1-amino-1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 171160252
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130657386

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2,3-difluorophenyl)propan-2-ol?
The IUPAC name of 1-amino-1-(2,3-difluorophenyl)propan-2-ol (CID 55273515) is 1-amino-1-(2,3-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-1-(2,3-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-amino-1-(2,3-difluorophenyl)propan-2-ol is CC(O)C(N)c1cccc(F)c1F.
What is the InChIKey of 1-amino-1-(2,3-difluorophenyl)propan-2-ol?
The InChIKey is QGQMHGKLKBAITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(13)9(12)6-3-2-4-7(10)8(6)11/h2-5,9,13H,12H2,1H3.
What are the key properties of 1-amino-1-(2,3-difluorophenyl)propan-2-ol?
1-amino-1-(2,3-difluorophenyl)propan-2-ol has a molecular weight of 187.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2,3-difluorophenyl)propan-2-ol is sourced from PubChem (CID 55273515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).