2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine

C15H19F6N — CID 142809291

IUPAC2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine
SMILESCC1C=C(C(F)(F)F)C(CN2CCCC2C)=C(C(F)(F)F)C1
InChIInChI=1S/C15H19F6N/c1-9-6-12(14(16,17)18)11(13(7-9)15(19,20)21)8-22-5-3-4-10(22)2/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyWDHGOKHCGDKROD-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.86
Rot. Bonds2

About 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine

2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine (PubChem CID 142809291) has the molecular formula C15H19F6N and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine
PubChem CID142809291
Molecular FormulaC15H19F6N
Molecular Weight327.31 g/mol
Exact Mass327.14
IUPAC Name2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine
SMILESCC1C=C(C(F)(F)F)C(CN2CCCC2C)=C(C(F)(F)F)C1
InChIInChI=1S/C15H19F6N/c1-9-6-12(14(16,17)18)11(13(7-9)15(19,20)21)8-22-5-3-4-10(22)2/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyWDHGOKHCGDKROD-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine?
The IUPAC name of 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine (CID 142809291) is 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine is CC1C=C(C(F)(F)F)C(CN2CCCC2C)=C(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine?
The InChIKey is WDHGOKHCGDKROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F6N/c1-9-6-12(14(16,17)18)11(13(7-9)15(19,20)21)8-22-5-3-4-10(22)2/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine?
2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine has a molecular weight of 327.31 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-methyl-2,6-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pyrrolidine is sourced from PubChem (CID 142809291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).