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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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).