1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone

C12H14F3NO — CID 91437039

IUPAC1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone
SMILESCCCNc1cc(C(C)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-3-4-16-11-6-9(8(2)17)5-10(7-11)12(13,14)15/h5-7,16H,3-4H2,1-2H3
InChIKeyUKEQSNXXBYEPMV-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.73
Rot. Bonds4

About 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone

1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 91437039) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone
PubChem CID91437039
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone
SMILESCCCNc1cc(C(C)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-3-4-16-11-6-9(8(2)17)5-10(7-11)12(13,14)15/h5-7,16H,3-4H2,1-2H3
InChIKeyUKEQSNXXBYEPMV-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-ethyl-5-(trifluoromethyl)phenyl]ethanone
CID 146358849
1-[4-(propylamino)phenyl]ethanone
CID 7304598
dimethyl 5-(propylamino)benzene-1,3-dicarboxylate
CID 63091629
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
1-[3-(ethylamino)-5-fluorophenyl]ethanone
CID 82535672
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 143912635
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119628226
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 18328560
3-[[(2S)-2-aminopentanoyl]amino]-5-(trifluoromethyl)benzoic acid
CID 103869561
3-(ethylsulfamoylamino)-5-(trifluoromethyl)benzoic acid
CID 114805782
1-(3-acetylphenyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
CID 19649247

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone (CID 91437039) is 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone is CCCNc1cc(C(C)=O)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UKEQSNXXBYEPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-4-16-11-6-9(8(2)17)5-10(7-11)12(13,14)15/h5-7,16H,3-4H2,1-2H3.
What are the key properties of 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone?
1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 245.24 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propylamino)-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 91437039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).