1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone

C10H11ClFNO2 — CID 96660321

IUPAC1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone
SMILESO=C(CNCCO)c1cc(Cl)ccc1F
InChIInChI=1S/C10H11ClFNO2/c11-7-1-2-9(12)8(5-7)10(15)6-13-3-4-14/h1-2,5,13-14H,3-4,6H2
InChIKeyKMICQLNUUQZMFR-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.24
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone

1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone (PubChem CID 96660321) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone
PubChem CID96660321
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone
SMILESO=C(CNCCO)c1cc(Cl)ccc1F
InChIInChI=1S/C10H11ClFNO2/c11-7-1-2-9(12)8(5-7)10(15)6-13-3-4-14/h1-2,5,13-14H,3-4,6H2
InChIKeyKMICQLNUUQZMFR-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentan-1-one
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1-(5-chloro-2-fluorophenyl)octan-1-one
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1-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)ethanone
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5-chloro-2-fluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 32559967
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone (CID 96660321) is 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone is O=C(CNCCO)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone?
The InChIKey is KMICQLNUUQZMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c11-7-1-2-9(12)8(5-7)10(15)6-13-3-4-14/h1-2,5,13-14H,3-4,6H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone?
1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone has a molecular weight of 231.65 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)ethanone is sourced from PubChem (CID 96660321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).