1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone

C10H10F3NO — CID 2825048

IUPAC1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6H,1-2H3
InChIKeyNDKSWWUQHXZADC-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.50
Rot. Bonds2

About 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone

1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone (PubChem CID 2825048) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
PubChem CID2825048
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone
SMILESCN(C)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6H,1-2H3
InChIKeyNDKSWWUQHXZADC-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
p-Aminopropiophenone
CID 6270
4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
p-Aminoacetophenone
CID 7468
4,4'-Bis(diethylamino)benzophenone
CID 66663
1-Methyl-4-quinolone
CID 6748
4-Dimethylaminochalcone
CID 5377268
4-(Dimethylamino)benzophenone
CID 10737
4-Dimethylaminoacetophenone
CID 75037
Shellfish, unspecified
CID 584435
N-(4-Acetylphenyl)-2,2,2-trifluoroacetamide
CID 32487

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone (CID 2825048) is 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone is CN(C)c1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone?
The InChIKey is NDKSWWUQHXZADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone?
1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone has a molecular weight of 217.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 2825048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).