[5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate

C20H24F3NO3 — CID 20665995

IUPAC[5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate
SMILESCc1cc(C)c(C2=C(OC(=O)N(C)C)C(C)(C(F)(F)F)CC2=O)c(C)c1C
InChIInChI=1S/C20H24F3NO3/c1-10-8-11(2)15(13(4)12(10)3)16-14(25)9-19(5,20(21,22)23)17(16)27-18(26)24(6)7/h8H,9H2,1-7H3
InChIKeyUFTFJULTODBHRD-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.87
Rot. Bonds2

About [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate

[5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate (PubChem CID 20665995) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate
PubChem CID20665995
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name[5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate
SMILESCc1cc(C)c(C2=C(OC(=O)N(C)C)C(C)(C(F)(F)F)CC2=O)c(C)c1C
InChIInChI=1S/C20H24F3NO3/c1-10-8-11(2)15(13(4)12(10)3)16-14(25)9-19(5,20(21,22)23)17(16)27-18(26)24(6)7/h8H,9H2,1-7H3
InChIKeyUFTFJULTODBHRD-UHFFFAOYSA-N
XLogP4.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate (CID 20665995) is [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate is Cc1cc(C)c(C2=C(OC(=O)N(C)C)C(C)(C(F)(F)F)CC2=O)c(C)c1C.
What is the InChIKey of [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate?
The InChIKey is UFTFJULTODBHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO3/c1-10-8-11(2)15(13(4)12(10)3)16-14(25)9-19(5,20(21,22)23)17(16)27-18(26)24(6)7/h8H,9H2,1-7H3.
What are the key properties of [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate?
[5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate has a molecular weight of 383.41 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-oxo-2-(2,3,4,6-tetramethylphenyl)-5-(trifluoromethyl)cyclopenten-1-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 20665995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).