5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one

C12H12Cl3NO2 — CID 11209044

IUPAC5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one
SMILESCC1(C)CC(Nc2c(Cl)cc(Cl)cc2Cl)C(=O)O1
InChIInChI=1S/C12H12Cl3NO2/c1-12(2)5-9(11(17)18-12)16-10-7(14)3-6(13)4-8(10)15/h3-4,9,16H,5H2,1-2H3
InChIKeyAVILXRDSVGLEAZ-UHFFFAOYSA-N
MW308.59 g/mol
LogP4.15
Rot. Bonds2

About 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one

5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one (PubChem CID 11209044) has the molecular formula C12H12Cl3NO2 and a molecular weight of 308.59 g/mol. Its IUPAC name is 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one
PubChem CID11209044
Molecular FormulaC12H12Cl3NO2
Molecular Weight308.59 g/mol
Exact Mass306.99
IUPAC Name5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one
SMILESCC1(C)CC(Nc2c(Cl)cc(Cl)cc2Cl)C(=O)O1
InChIInChI=1S/C12H12Cl3NO2/c1-12(2)5-9(11(17)18-12)16-10-7(14)3-6(13)4-8(10)15/h3-4,9,16H,5H2,1-2H3
InChIKeyAVILXRDSVGLEAZ-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(2,4,6-trichlorophenyl)-1,3-dioxan-5-amine
CID 106658164
3-(2-chloro-4-fluoroanilino)-5-(4-chlorophenyl)-5-methyloxolan-2-one
CID 10155071
3-(3,5-dichloroanilino)-5-(3-methoxyphenyl)-5-methyloxolan-2-one
CID 10133470
2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 71910094
3-(3,5-dichloroanilino)-5-phenyl-5-propyloxolan-2-one
CID 10270116
5,8-dichloro-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 64698506
N-(5-chloro-2-pyridinyl)-2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]acetamide
CID 39730442
4,4-dimethyl-N-(2,4,6-trichlorophenyl)thian-3-amine
CID 79951111
4-chloro-5,5-dimethyl-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
CID 163728752
3,3-dimethyl-5-[(2,4,6-trichlorophenyl)hydrazinylidene]cyclohexan-1-one
CID 2313217
(2R)-N-(2,5-dichlorophenyl)-3-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-2-methylpropanamide
CID 845213
2,4,6-trichloro-N-cyclobutylaniline
CID 63425611

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one?
The IUPAC name of 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one (CID 11209044) is 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one.
What is the SMILES notation for 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one?
The canonical SMILES for 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one is CC1(C)CC(Nc2c(Cl)cc(Cl)cc2Cl)C(=O)O1.
What is the InChIKey of 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one?
The InChIKey is AVILXRDSVGLEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO2/c1-12(2)5-9(11(17)18-12)16-10-7(14)3-6(13)4-8(10)15/h3-4,9,16H,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one?
5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one has a molecular weight of 308.59 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(2,4,6-trichloroanilino)oxolan-2-one is sourced from PubChem (CID 11209044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).