1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one

C10H11ClFNO — CID 102622065

IUPAC1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C10H11ClFNO/c1-13-6-9(14)5-7-4-8(12)2-3-10(7)11/h2-4,13H,5-6H2,1H3
InChIKeySTAHBYJDGPRUMC-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one

1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one (PubChem CID 102622065) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one
PubChem CID102622065
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C10H11ClFNO/c1-13-6-9(14)5-7-4-8(12)2-3-10(7)11/h2-4,13H,5-6H2,1H3
InChIKeySTAHBYJDGPRUMC-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Clephedrone
CID 82100418
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2-Chloromethcathinone
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1-(2-Chlorophenyl)-2-(ethylamino)propan-1-one
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1-Propanone, 2-((1-methylethyl)amino)-1-(2-chlorophenyl)-, hydrochloride
CID 3021880
1-Amino-3-(4-chloro-3-fluorophenyl)propan-2-one hydrochloride
CID 66922414
2-Chloroethcathinone (hydrochloride)
CID 137699703
2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 839127
2-Amino-1-(2-chloro-6-fluorophenyl)ethan-1-one hydrochloride
CID 121553664
2-Amino-1-(2-chloro-4-fluorophenyl)ethan-1-one hydrochloride
CID 126810240
1-(2-Chlorophenyl)-2-(methylamino)propan-1-one hydrochloride
CID 137699974

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one (CID 102622065) is 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one is CNCC(=O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one?
The InChIKey is STAHBYJDGPRUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-13-6-9(14)5-7-4-8(12)2-3-10(7)11/h2-4,13H,5-6H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one?
1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one has a molecular weight of 215.66 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(methylamino)propan-2-one is sourced from PubChem (CID 102622065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).