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

C11H13F2NO — CID 122479981

IUPAC1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
SMILESCC(=O)c1c(F)cc(CN(C)C)cc1F
InChIInChI=1S/C11H13F2NO/c1-7(15)11-9(12)4-8(5-10(11)13)6-14(2)3/h4-5H,6H2,1-3H3
InChIKeyMFXZXSVGYXPCFE-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.23
Rot. Bonds3

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

1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone (PubChem CID 122479981) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
PubChem CID122479981
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
SMILESCC(=O)c1c(F)cc(CN(C)C)cc1F
InChIInChI=1S/C11H13F2NO/c1-7(15)11-9(12)4-8(5-10(11)13)6-14(2)3/h4-5H,6H2,1-3H3
InChIKeyMFXZXSVGYXPCFE-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(dimethylamino)ethyl]-2,6-difluorophenyl]ethanone
CID 122503474
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
(2,4-diamino-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]methanone
CID 145140408
2-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117359300
ethyl 2-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]-2-oxoacetate
CID 117426168
3,5-bis[(dimethylamino)methyl]benzamide
CID 101488535
(2S)-2-amino-N-methyl-N-[(3,4,5-trifluorophenyl)methyl]propanamide
CID 99705263
3-[methyl-[(3,4,5-trifluorophenyl)methyl]amino]propanoic acid
CID 65063268
[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 67196676
2-(2-aminopropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117325746
2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117353759
3-cyclopropyl-3-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]propanoic acid
CID 117451453

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone (CID 122479981) is 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone is CC(=O)c1c(F)cc(CN(C)C)cc1F.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone?
The InChIKey is MFXZXSVGYXPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7(15)11-9(12)4-8(5-10(11)13)6-14(2)3/h4-5H,6H2,1-3H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone?
1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone has a molecular weight of 213.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone is sourced from PubChem (CID 122479981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).