1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone

C10H9F4NO — CID 23235323

IUPAC1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone
SMILESCC(=O)c1c(F)c(F)c(F)c(F)c1N(C)C
InChIInChI=1S/C10H9F4NO/c1-4(16)5-6(11)7(12)8(13)9(14)10(5)15(2)3/h1-3H3
InChIKeyYZZXZFDJTAYOPR-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.51
Rot. Bonds2

About 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone

1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone (PubChem CID 23235323) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone
PubChem CID23235323
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone
SMILESCC(=O)c1c(F)c(F)c(F)c(F)c1N(C)C
InChIInChI=1S/C10H9F4NO/c1-4(16)5-6(11)7(12)8(13)9(14)10(5)15(2)3/h1-3H3
InChIKeyYZZXZFDJTAYOPR-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone (CID 23235323) is 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone is CC(=O)c1c(F)c(F)c(F)c(F)c1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone?
The InChIKey is YZZXZFDJTAYOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-4(16)5-6(11)7(12)8(13)9(14)10(5)15(2)3/h1-3H3.
What are the key properties of 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone?
1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone has a molecular weight of 235.18 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3,4,5,6-tetrafluorophenyl]ethanone is sourced from PubChem (CID 23235323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).