1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one

C10H11ClFNO — CID 114863220

IUPAC1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO/c1-13-6-9(14)4-7-2-3-8(11)5-10(7)12/h2-3,5,13H,4,6H2,1H3
InChIKeyIFSRIALTCLJDSW-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.81
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one

1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one (PubChem CID 114863220) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
PubChem CID114863220
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
SMILESCNCC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C10H11ClFNO/c1-13-6-9(14)4-7-2-3-8(11)5-10(7)12/h2-3,5,13H,4,6H2,1H3
InChIKeyIFSRIALTCLJDSW-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

1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114863460
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
1-(4-chloro-2-fluorophenyl)-4-methoxybutan-2-one
CID 114853710
4-amino-1-(4-chloro-2-fluorophenyl)hexan-2-one
CID 114863569
1-(4-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105135666
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
1-(4-chloro-2-fluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 114863253
5-amino-1-(4-chloro-2-fluorophenyl)-5-methylhexan-2-one
CID 114863343
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
1-(4-chloro-2-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446096
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 114853895

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one (CID 114863220) is 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one is CNCC(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one?
The InChIKey is IFSRIALTCLJDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-13-6-9(14)4-7-2-3-8(11)5-10(7)12/h2-3,5,13H,4,6H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one?
1-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one is sourced from PubChem (CID 114863220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).