2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine

C15H17F6N — CID 123456523

IUPAC2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C1CCC(C2CC(F)=CC(F)=C2F)C(C)N1CC(F)(F)F
InChIInChI=1S/C15H17F6N/c1-8-3-4-11(9(2)22(8)7-15(19,20)21)12-5-10(16)6-13(17)14(12)18/h6,9,11-12H,1,3-5,7H2,2H3
InChIKeyMBNNVRPTFBPFGD-UHFFFAOYSA-N
MW325.30 g/mol
LogP5.19
Rot. Bonds2

About 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine

2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 123456523) has the molecular formula C15H17F6N and a molecular weight of 325.30 g/mol. Its IUPAC name is 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID123456523
Molecular FormulaC15H17F6N
Molecular Weight325.30 g/mol
Exact Mass325.13
IUPAC Name2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C1CCC(C2CC(F)=CC(F)=C2F)C(C)N1CC(F)(F)F
InChIInChI=1S/C15H17F6N/c1-8-3-4-11(9(2)22(8)7-15(19,20)21)12-5-10(16)6-13(17)14(12)18/h6,9,11-12H,1,3-5,7H2,2H3
InChIKeyMBNNVRPTFBPFGD-UHFFFAOYSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.30
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine
CID 14296893
1-[(Z)-4-cyclohexyl-1,1,1-trifluorobut-2-en-2-yl]piperidine
CID 101627242
Dimethyl hexahydroquinoline
CID 129883835
1-Ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
CID 70954594
N-methyl-N-(4-methylcyclohexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 143189849
4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 144954999
1-(Cyclohexen-1-yl)-3,5-bis(trifluoromethyl)piperidine
CID 147016799
1-(Cyclohexen-1-yl)-4-(trifluoromethyl)piperidine
CID 148446356
4-[5-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-1-propylpiperidine
CID 152497843
4-Fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine
CID 155197687
(2Z)-2-ethylidene-1-(2-fluoroethyl)-4,6-dimethylpiperidine
CID 155440590
1-[(Z)-1-cyclohexyl-3,3,3-trifluoroprop-1-en-2-yl]piperidine
CID 101627258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine (CID 123456523) is 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine is C=C1CCC(C2CC(F)=CC(F)=C2F)C(C)N1CC(F)(F)F.
What is the InChIKey of 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is MBNNVRPTFBPFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F6N/c1-8-3-4-11(9(2)22(8)7-15(19,20)21)12-5-10(16)6-13(17)14(12)18/h6,9,11-12H,1,3-5,7H2,2H3.
What are the key properties of 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine?
2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 325.30 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 123456523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).