1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone

C13H15ClF3NO — CID 71319678

IUPAC1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone
SMILESCCN(CC)c1c(Cl)cc(C(C)=O)cc1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO/c1-4-18(5-2)12-10(13(15,16)17)6-9(8(3)19)7-11(12)14/h6-7H,4-5H2,1-3H3
InChIKeyRISHAHVHUBIRCA-UHFFFAOYSA-N
MW293.72 g/mol
LogP4.41
Rot. Bonds4

About 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone

1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone (PubChem CID 71319678) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone
PubChem CID71319678
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone
SMILESCCN(CC)c1c(Cl)cc(C(C)=O)cc1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO/c1-4-18(5-2)12-10(13(15,16)17)6-9(8(3)19)7-11(12)14/h6-7H,4-5H2,1-3H3
InChIKeyRISHAHVHUBIRCA-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-5-chloro-4-(diethylamino)phenyl]ethanone
CID 71319680
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
1-[3-chloro-4-(diethylamino)-5-nitrophenyl]ethanone
CID 71319679
1-[3-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227618
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595
1-[4-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 121399584
1-[3-fluoro-4-iodo-5-(trifluoromethyl)phenyl]ethanone
CID 171022050
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262564
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238984
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-one
CID 146008490
1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 170996803

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone (CID 71319678) is 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone is CCN(CC)c1c(Cl)cc(C(C)=O)cc1C(F)(F)F.
What is the InChIKey of 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone?
The InChIKey is RISHAHVHUBIRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-4-18(5-2)12-10(13(15,16)17)6-9(8(3)19)7-11(12)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone?
1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone has a molecular weight of 293.72 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(diethylamino)-5-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 71319678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).