1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone

C17H18FNO — CID 94281136

IUPAC1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone
SMILESCc1cc(C)c(NCC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H18FNO/c1-11-8-12(2)17(13(3)9-11)19-10-16(20)14-4-6-15(18)7-5-14/h4-9,19H,10H2,1-3H3
InChIKeyGXDWARBCBHXDHQ-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.05
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone

1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone (PubChem CID 94281136) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone
PubChem CID94281136
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone
SMILESCc1cc(C)c(NCC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H18FNO/c1-11-8-12(2)17(13(3)9-11)19-10-16(20)14-4-6-15(18)7-5-14/h4-9,19H,10H2,1-3H3
InChIKeyGXDWARBCBHXDHQ-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone (CID 94281136) is 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone is Cc1cc(C)c(NCC(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone?
The InChIKey is GXDWARBCBHXDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-8-12(2)17(13(3)9-11)19-10-16(20)14-4-6-15(18)7-5-14/h4-9,19H,10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone?
1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone has a molecular weight of 271.33 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)ethanone is sourced from PubChem (CID 94281136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).