2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone

C16H15F2NO — CID 105082380

IUPAC2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H15F2NO/c1-19(2)14-6-3-11(4-7-14)16(20)10-12-9-13(17)5-8-15(12)18/h3-9H,10H2,1-2H3
InChIKeyNJQPQFXWWYEONO-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.46
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone

2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone (PubChem CID 105082380) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
PubChem CID105082380
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H15F2NO/c1-19(2)14-6-3-11(4-7-14)16(20)10-12-9-13(17)5-8-15(12)18/h3-9H,10H2,1-2H3
InChIKeyNJQPQFXWWYEONO-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-4-fluorophenyl)-1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethanone
CID 157137484
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105085149
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone
CID 8865368
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114964032

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone (CID 105082380) is 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone is CN(C)c1ccc(C(=O)Cc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone?
The InChIKey is NJQPQFXWWYEONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-19(2)14-6-3-11(4-7-14)16(20)10-12-9-13(17)5-8-15(12)18/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone?
2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone has a molecular weight of 275.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 105082380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).