1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene

C17H23F6NO — CID 142809226

IUPAC1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene
SMILESCC.CC1CCC(=O)N1C.Cc1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C9H6F6.C6H11NO.C2H6/c1-5-6(8(10,11)12)3-2-4-7(5)9(13,14)15;1-5-3-4-6(8)7(5)2;1-2/h2-4H,1H3;5H,3-4H2,1-2H3;1-2H3
InChIKeyULAMQZJVLJFDCT-UHFFFAOYSA-N
MW371.37 g/mol
LogP5.69
Rot. Bonds

About 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene

1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene (PubChem CID 142809226) has the molecular formula C17H23F6NO and a molecular weight of 371.37 g/mol. Its IUPAC name is 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene
PubChem CID142809226
Molecular FormulaC17H23F6NO
Molecular Weight371.37 g/mol
Exact Mass371.17
IUPAC Name1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene
SMILESCC.CC1CCC(=O)N1C.Cc1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C9H6F6.C6H11NO.C2H6/c1-5-6(8(10,11)12)3-2-4-7(5)9(13,14)15;1-5-3-4-6(8)7(5)2;1-2/h2-4H,1H3;5H,3-4H2,1-2H3;1-2H3
InChIKeyULAMQZJVLJFDCT-UHFFFAOYSA-N
XLogP5.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.37
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 174580283
1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 156843578
1-[difluoro(iodo)methyl]-2-methyl-3-(trifluoromethyl)benzene
CID 129042574
1-[2-methyl-3-(trifluoromethyl)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708962
7-bromo-3-methyl-2-[2-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118086306
1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714471
4-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
CID 103576463
1-methyl-4-(trifluoromethyl)-3H-indol-2-one
CID 57380795
ethane;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;toluene
CID 143604043
2-methyl-3-(trifluoromethyl)benzenecarbothioic S-acid
CID 54402075
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79883718
3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 115095537

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene?
The IUPAC name of 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene (CID 142809226) is 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene is CC.CC1CCC(=O)N1C.Cc1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene?
The InChIKey is ULAMQZJVLJFDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6.C6H11NO.C2H6/c1-5-6(8(10,11)12)3-2-4-7(5)9(13,14)15;1-5-3-4-6(8)7(5)2;1-2/h2-4H,1H3;5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene?
1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene has a molecular weight of 371.37 g/mol, XLogP of 5.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrrolidin-2-one;ethane;2-methyl-1,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 142809226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).