2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine

C8H13F4NO — CID 166984272

IUPAC2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine
SMILESCCC1C(F)C(OC(F)(F)F)CN1C
InChIInChI=1S/C8H13F4NO/c1-3-5-7(9)6(4-13(5)2)14-8(10,11)12/h5-7H,3-4H2,1-2H3
InChIKeyBZKZCLFFMGUXGT-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.95
Rot. Bonds2

About 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine

2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine (PubChem CID 166984272) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine
PubChem CID166984272
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine
SMILESCCC1C(F)C(OC(F)(F)F)CN1C
InChIInChI=1S/C8H13F4NO/c1-3-5-7(9)6(4-13(5)2)14-8(10,11)12/h5-7H,3-4H2,1-2H3
InChIKeyBZKZCLFFMGUXGT-UHFFFAOYSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)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,3S)-2-[(1S)-1-ethoxyethyl]-1-methyl-3-(trifluoromethoxy)pyrrolidine
CID 177009658
[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine
CID 175670742
18-ethyl-19-methyl-19-azabicyclo[15.3.0]icosane
CID 174195083
(1S,2S,5R,6R)-2-ethyl-3-methyl-3-azabicyclo[3.2.0]heptan-6-amine
CID 118346540
1-iodo-4-(trifluoromethoxy)pyrrolidin-3-amine
CID 166797029
1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole
CID 123774935
1-methyl-2-(trifluoromethoxy)imidazolidine
CID 123380195
(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine
CID 178126696
4-ethoxy-3-methoxy-1,2-dimethylpyrrolidine
CID 170016407
2-ethyl-1-azabicyclo[1.1.0]butane
CID 147893042
4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
CID 20643370
2-ethyl-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonane
CID 45099849

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine?
The IUPAC name of 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine (CID 166984272) is 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine.
What is the SMILES notation for 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine?
The canonical SMILES for 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine is CCC1C(F)C(OC(F)(F)F)CN1C.
What is the InChIKey of 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine?
The InChIKey is BZKZCLFFMGUXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-3-5-7(9)6(4-13(5)2)14-8(10,11)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine?
2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine has a molecular weight of 215.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine is sourced from PubChem (CID 166984272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).