[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone

C15H12F3NO — CID 105099010

IUPAC[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
SMILESCN(C)c1cccc(C(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C15H12F3NO/c1-19(2)10-5-3-4-9(8-10)15(20)11-6-7-12(16)14(18)13(11)17/h3-8H,1-2H3
InChIKeyRZMHULFNJPDFEP-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.40
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone

[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 105099010) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
PubChem CID105099010
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
SMILESCN(C)c1cccc(C(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C15H12F3NO/c1-19(2)10-5-3-4-9(8-10)15(20)11-6-7-12(16)14(18)13(11)17/h3-8H,1-2H3
InChIKeyRZMHULFNJPDFEP-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
CID 106647340
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
CID 105094111
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
[3-(dimethylamino)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434965
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127292
2,3-dihydro-1,4-benzodioxin-6-yl-(2,3,4-trifluorophenyl)methanone
CID 79757453
2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde
CID 91802921
(4-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 112694186

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone (CID 105099010) is [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone is CN(C)c1cccc(C(=O)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is RZMHULFNJPDFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-19(2)10-5-3-4-9(8-10)15(20)11-6-7-12(16)14(18)13(11)17/h3-8H,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone?
[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 279.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 105099010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).