1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine

C13H20F3N — CID 170016412

IUPAC1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
SMILESC=C1CCC(C(F)(F)F)N1C(=C)CC(C)(C)C
InChIInChI=1S/C13H20F3N/c1-9-6-7-11(13(14,15)16)17(9)10(2)8-12(3,4)5/h11H,1-2,6-8H2,3-5H3
InChIKeyTZNSMDZPYFPUBW-UHFFFAOYSA-N
MW247.30 g/mol
LogP4.48
Rot. Bonds2

About 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine

1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine (PubChem CID 170016412) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
PubChem CID170016412
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
SMILESC=C1CCC(C(F)(F)F)N1C(=C)CC(C)(C)C
InChIInChI=1S/C13H20F3N/c1-9-6-7-11(13(14,15)16)17(9)10(2)8-12(3,4)5/h11H,1-2,6-8H2,3-5H3
InChIKeyTZNSMDZPYFPUBW-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine
CID 162404797
1-(4,4-Dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine
CID 146229196
2-[1-(4,4-dimethylpent-1-en-2-yl)-4,4-difluoropyrrolidin-2-yl]-N-methylethanamine
CID 167149759
N-[[(2R)-4,4-difluoro-1-methyl-5-methylidenepyrrolidin-2-yl]methyl]-N,3-dimethylbutan-1-amine
CID 169914402
N-[[(2S)-4,4-difluoro-1-methyl-5-methylidenepyrrolidin-2-yl]methyl]-N,3-dimethylbutan-1-amine
CID 169914403
1-(3,3-Difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane
CID 177054045
(2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 176975290
1-(3,3-Difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine
CID 177054046
N-(3,3-difluoropropyl)-N-methyl-6-pyrrolidin-1-ylhept-6-en-2-amine
CID 178108618
1-(4,4-Dimethylpentyl)-2-methylidenepyrrolidine
CID 58391561
2-Tert-butyl-1-methyl-5-methylidenepyrrolidine
CID 58562533
1,2-Ditert-butyl-5-methylidenepyrrolidine
CID 89707989

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine (CID 170016412) is 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine is C=C1CCC(C(F)(F)F)N1C(=C)CC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine?
The InChIKey is TZNSMDZPYFPUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N/c1-9-6-7-11(13(14,15)16)17(9)10(2)8-12(3,4)5/h11H,1-2,6-8H2,3-5H3.
What are the key properties of 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine?
1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine has a molecular weight of 247.30 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 170016412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).