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

C9H11F2NO — CID 63669406

IUPAC2-amino-1-(2,3-difluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1cccc(F)c1F
InChIInChI=1S/C9H11F2NO/c1-5(12)9(13)6-3-2-4-7(10)8(6)11/h2-5,9,13H,12H2,1H3
InChIKeySCRHNYCAJHSHJG-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.35
Rot. Bonds2

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

2-amino-1-(2,3-difluorophenyl)propan-1-ol (PubChem CID 63669406) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-amino-1-(2,3-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2,3-difluorophenyl)propan-1-ol
PubChem CID63669406
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-amino-1-(2,3-difluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1cccc(F)c1F
InChIInChI=1S/C9H11F2NO/c1-5(12)9(13)6-3-2-4-7(10)8(6)11/h2-5,9,13H,12H2,1H3
InChIKeySCRHNYCAJHSHJG-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

1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
CID 84669941
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
1-(2,3-difluorophenyl)-2-methoxypropan-1-ol
CID 79617746
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
2-amino-1-(2,3-difluorophenyl)-2-phenylethanol
CID 63669574
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
(1R,2S)-1-amino-1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 171160252
2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
CID 164658455
1-(2,3-difluorophenyl)pentane-1,2-diol
CID 103454950
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-difluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(2,3-difluorophenyl)propan-1-ol (CID 63669406) is 2-amino-1-(2,3-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(2,3-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(2,3-difluorophenyl)propan-1-ol is CC(N)C(O)c1cccc(F)c1F.
What is the InChIKey of 2-amino-1-(2,3-difluorophenyl)propan-1-ol?
The InChIKey is SCRHNYCAJHSHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(12)9(13)6-3-2-4-7(10)8(6)11/h2-5,9,13H,12H2,1H3.
What are the key properties of 2-amino-1-(2,3-difluorophenyl)propan-1-ol?
2-amino-1-(2,3-difluorophenyl)propan-1-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 2-amino-1-(2,3-difluorophenyl)propan-1-ol is sourced from PubChem (CID 63669406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).