trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate

C12H20F3NO2 — CID 70823742

IUPACtrifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
SMILESCCC1CCC(CC(C)C)N1C(=O)OC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-4-9-5-6-10(7-8(2)3)16(9)11(17)18-12(13,14)15/h8-10H,4-7H2,1-3H3
InChIKeyTWVRFGSXORSVAX-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.93
Rot. Bonds3

About trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate

trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate (PubChem CID 70823742) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametrifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
PubChem CID70823742
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Nametrifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
SMILESCCC1CCC(CC(C)C)N1C(=O)OC(F)(F)F
InChIInChI=1S/C12H20F3NO2/c1-4-9-5-6-10(7-8(2)3)16(9)11(17)18-12(13,14)15/h8-10H,4-7H2,1-3H3
InChIKeyTWVRFGSXORSVAX-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate 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

tert-butyl (2S)-2-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxylate
CID 134962312
Tert-butyl 2-(3,3-difluorocyclobutyl)pyrrolidine-1-carboxylate
CID 178338073
tert-butyl (2S)-4,4-difluoro-2-propan-2-ylpyrrolidine-1-carboxylate
CID 59458527
Trifluoromethyl 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59598940
Trifluoromethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614191
Trifluoromethyl 3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68215861
2,2,2-Trifluoroethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 70823739
Trifluoromethyl 3-ethyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70826462
Tert-butyl 4,4-difluoro-2-propan-2-ylpyrrolidine-1-carboxylate
CID 72290890
2-Tert-butyl-4-(difluoromethyl)pyrrolidine-1-carboxylic acid
CID 138544305
tert-butyl (2R,4R)-2-(difluoromethyl)-4-methylpyrrolidine-1-carboxylate
CID 170387469
methyl (2S,4R)-4-fluoro-2-propan-2-ylpyrrolidine-1-carboxylate
CID 172389587

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate?
The IUPAC name of trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate (CID 70823742) is trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate is CCC1CCC(CC(C)C)N1C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate?
The InChIKey is TWVRFGSXORSVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-4-9-5-6-10(7-8(2)3)16(9)11(17)18-12(13,14)15/h8-10H,4-7H2,1-3H3.
What are the key properties of trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate?
trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 70823742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).