1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone

C10H11F2NO — CID 83383426

IUPAC1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone
SMILESCC(=O)c1cc(F)c(N(C)C)c(F)c1
InChIInChI=1S/C10H11F2NO/c1-6(14)7-4-8(11)10(13(2)3)9(12)5-7/h4-5H,1-3H3
InChIKeyHJAJYRSPLGUGIX-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.23
Rot. Bonds2

About 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone

1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone (PubChem CID 83383426) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone
PubChem CID83383426
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone
SMILESCC(=O)c1cc(F)c(N(C)C)c(F)c1
InChIInChI=1S/C10H11F2NO/c1-6(14)7-4-8(11)10(13(2)3)9(12)5-7/h4-5H,1-3H3
InChIKeyHJAJYRSPLGUGIX-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-3,5-difluorobenzoic acid
CID 63078254
1-[3-(dimethylamino)-5-fluorophenyl]ethanone
CID 82535454
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide
CID 2804203
1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
CID 118845013
1-(3-bromo-5-fluoro-4-iodophenyl)ethanone
CID 171002379
1-(3,5-difluoro-4-pentoxyphenyl)ethanone
CID 91657642
4-acetyl-2-fluoro-6-methoxybenzonitrile
CID 131590815
N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-(dimethylamino)-3,5-difluorobenzamide
CID 2806233
1-[3-fluoro-4-iodo-5-(trifluoromethyl)phenyl]ethanone
CID 171022050
4-acetyl-2,6-difluoro-N-methylsulfanylbenzamide
CID 134602897

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone (CID 83383426) is 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone is CC(=O)c1cc(F)c(N(C)C)c(F)c1.
What is the InChIKey of 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone?
The InChIKey is HJAJYRSPLGUGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6(14)7-4-8(11)10(13(2)3)9(12)5-7/h4-5H,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone?
1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone has a molecular weight of 199.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone is sourced from PubChem (CID 83383426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).