3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one

C9H10FNO2 — CID 82601573

IUPAC3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
SMILESNCCC(=O)c1cccc(F)c1O
InChIInChI=1S/C9H10FNO2/c10-7-3-1-2-6(9(7)13)8(12)4-5-11/h1-3,13H,4-5,11H2
InChIKeyKYPLFYJPHHLGEB-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.06
Rot. Bonds3

About 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one

3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one (PubChem CID 82601573) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
PubChem CID82601573
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
SMILESNCCC(=O)c1cccc(F)c1O
InChIInChI=1S/C9H10FNO2/c10-7-3-1-2-6(9(7)13)8(12)4-5-11/h1-3,13H,4-5,11H2
InChIKeyKYPLFYJPHHLGEB-UHFFFAOYSA-N
XLogP1.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one (CID 82601573) is 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one is NCCC(=O)c1cccc(F)c1O.
What is the InChIKey of 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one?
The InChIKey is KYPLFYJPHHLGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-3-1-2-6(9(7)13)8(12)4-5-11/h1-3,13H,4-5,11H2.
What are the key properties of 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one?
3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one has a molecular weight of 183.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 82601573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).