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

C15H19F6N — CID 142809241

IUPAC2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine
SMILESCC1CCCN1CC1C(C(F)(F)F)=CC=CC1(C)C(F)(F)F
InChIInChI=1S/C15H19F6N/c1-10-5-4-8-22(10)9-12-11(14(16,17)18)6-3-7-13(12,2)15(19,20)21/h3,6-7,10,12H,4-5,8-9H2,1-2H3
InChIKeyOLXZDAFZNMUBTM-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.71
Rot. Bonds2

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

2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine (PubChem CID 142809241) has the molecular formula C15H19F6N and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine
PubChem CID142809241
Molecular FormulaC15H19F6N
Molecular Weight327.31 g/mol
Exact Mass327.14
IUPAC Name2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine
SMILESCC1CCCN1CC1C(C(F)(F)F)=CC=CC1(C)C(F)(F)F
InChIInChI=1S/C15H19F6N/c1-10-5-4-8-22(10)9-12-11(14(16,17)18)6-3-7-13(12,2)15(19,20)21/h3,6-7,10,12H,4-5,8-9H2,1-2H3
InChIKeyOLXZDAFZNMUBTM-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine?
The IUPAC name of 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine (CID 142809241) is 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine is CC1CCCN1CC1C(C(F)(F)F)=CC=CC1(C)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine?
The InChIKey is OLXZDAFZNMUBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F6N/c1-10-5-4-8-22(10)9-12-11(14(16,17)18)6-3-7-13(12,2)15(19,20)21/h3,6-7,10,12H,4-5,8-9H2,1-2H3.
What are the key properties of 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine?
2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine has a molecular weight of 327.31 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[6-methyl-2,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyrrolidine is sourced from PubChem (CID 142809241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).