3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one

C10H12FNO2 — CID 21014342

IUPAC3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one
SMILESCC(N)CC(=O)c1cc(O)ccc1F
InChIInChI=1S/C10H12FNO2/c1-6(12)4-10(14)8-5-7(13)2-3-9(8)11/h2-3,5-6,13H,4,12H2,1H3
InChIKeyMCGSUNRRICJRGF-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.45
Rot. Bonds3

About 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one

3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one (PubChem CID 21014342) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one
PubChem CID21014342
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one
SMILESCC(N)CC(=O)c1cc(O)ccc1F
InChIInChI=1S/C10H12FNO2/c1-6(12)4-10(14)8-5-7(13)2-3-9(8)11/h2-3,5-6,13H,4,12H2,1H3
InChIKeyMCGSUNRRICJRGF-UHFFFAOYSA-N
XLogP1.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one?
The IUPAC name of 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one (CID 21014342) is 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one?
The canonical SMILES for 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one is CC(N)CC(=O)c1cc(O)ccc1F.
What is the InChIKey of 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one?
The InChIKey is MCGSUNRRICJRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6(12)4-10(14)8-5-7(13)2-3-9(8)11/h2-3,5-6,13H,4,12H2,1H3.
What are the key properties of 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one?
3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 21014342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).