1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone

C12H15F2NO — CID 122503474

IUPAC1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone
SMILESCC(=O)c1c(F)cc(CCN(C)C)cc1F
InChIInChI=1S/C12H15F2NO/c1-8(16)12-10(13)6-9(7-11(12)14)4-5-15(2)3/h6-7H,4-5H2,1-3H3
InChIKeyKFJTYODYTQKZPF-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone

1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone (PubChem CID 122503474) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone
PubChem CID122503474
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone
SMILESCC(=O)c1c(F)cc(CCN(C)C)cc1F
InChIInChI=1S/C12H15F2NO/c1-8(16)12-10(13)6-9(7-11(12)14)4-5-15(2)3/h6-7H,4-5H2,1-3H3
InChIKeyKFJTYODYTQKZPF-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
CID 122479981
5-[2-(dimethylamino)ethyl]-2-fluorobenzoic acid
CID 105464870
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
N-[2-(3,4-difluorophenyl)ethyl]-N-methyl-4-oxopentanamide
CID 115176980
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 115190351
1-[2-(difluoromethoxy)-4-ethyl-6-fluorophenyl]ethanone
CID 171031671
1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
CID 141151688
1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
CID 164772496
1-(2,6-difluoro-4-pyrimidin-2-ylphenyl)ethanone
CID 176577054
5-[3-(dimethylamino)propyl]benzene-1,2,3-triol
CID 170865399
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone (CID 122503474) is 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone is CC(=O)c1c(F)cc(CCN(C)C)cc1F.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone?
The InChIKey is KFJTYODYTQKZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8(16)12-10(13)6-9(7-11(12)14)4-5-15(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone?
1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone has a molecular weight of 227.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone is sourced from PubChem (CID 122503474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).