1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone

C10H12FNO2 — CID 130609429

IUPAC1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1NCCO
InChIInChI=1S/C10H12FNO2/c1-7(14)9-6-8(11)2-3-10(9)12-4-5-13/h2-3,6,12-13H,4-5H2,1H3
InChIKeyVLWQAXHXLPBBDP-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.43
Rot. Bonds4

About 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone

1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone (PubChem CID 130609429) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone
PubChem CID130609429
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1NCCO
InChIInChI=1S/C10H12FNO2/c1-7(14)9-6-8(11)2-3-10(9)12-4-5-13/h2-3,6,12-13H,4-5H2,1H3
InChIKeyVLWQAXHXLPBBDP-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
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5-fluoro-2-(4-hydroxypentylamino)benzoic acid
CID 106137596
5-fluoro-2-(3-methylbut-2-enylamino)benzoic acid
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5-fluoro-2-(prop-2-ynylamino)benzoic acid
CID 63674509
4-(2-carbamoyl-4-fluoroanilino)-2,2-dimethylbutanoic acid
CID 114285529
2-(3-aminopropylamino)-5-fluorobenzamide
CID 63674481
5-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 106248539
methyl 5-fluoro-2-[(3-methoxy-3-methylbutyl)amino]benzoate
CID 106675284
methyl 5-fluoro-2-(octylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone (CID 130609429) is 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone is CC(=O)c1cc(F)ccc1NCCO.
What is the InChIKey of 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone?
The InChIKey is VLWQAXHXLPBBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7(14)9-6-8(11)2-3-10(9)12-4-5-13/h2-3,6,12-13H,4-5H2,1H3.
What are the key properties of 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone?
1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone has a molecular weight of 197.21 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-hydroxyethylamino)phenyl]ethanone is sourced from PubChem (CID 130609429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).