methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate

C8H9F4NO4 — CID 134349052

IUPACmethyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1NC[C@@H](OC(=O)C(F)(F)F)[C@H]1F
InChIInChI=1S/C8H9F4NO4/c1-16-6(14)5-4(9)3(2-13-5)17-7(15)8(10,11)12/h3-5,13H,2H2,1H3/t3-,4-,5+/m1/s1
InChIKeyDUBVZMHJOBVVPZ-WDCZJNDASA-N
MW259.16 g/mol
LogP-0.06
Rot. Bonds2

About methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate

methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate (PubChem CID 134349052) has the molecular formula C8H9F4NO4 and a molecular weight of 259.16 g/mol. Its IUPAC name is methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
PubChem CID134349052
Molecular FormulaC8H9F4NO4
Molecular Weight259.16 g/mol
Exact Mass259.05
IUPAC Namemethyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1NC[C@@H](OC(=O)C(F)(F)F)[C@H]1F
InChIInChI=1S/C8H9F4NO4/c1-16-6(14)5-4(9)3(2-13-5)17-7(15)8(10,11)12/h3-5,13H,2H2,1H3/t3-,4-,5+/m1/s1
InChIKeyDUBVZMHJOBVVPZ-WDCZJNDASA-N
XLogP-0.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-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

methyl 3,4-difluoropyrrolidine-2-carboxylate
CID 171372910
methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride
CID 155821210
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyazetidine-2-carboxylate
CID 53302300
methyl 3-(2,2,2-trifluoroacetyl)oxy-2-azaspiro[3.3]heptane-6-carboxylate
CID 155026879
[(2S)-2-(dimethylcarbamoyl)-4-hydroxypyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 67428103
methyl (1S,2R,5R)-3-azabicyclo[3.2.0]heptane-2-carboxylate
CID 136589535
methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
CID 69499214
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 2,6-dimethylmorpholine-3-carboxylate
CID 110192673
[(3R,4S,5S,6R)-6-methoxy-4,5-bis[(2,2,2-trifluoroacetyl)oxy]oxan-3-yl] 2,2,2-trifluoroacetate
CID 91740609
methyl (3R,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 97358975
methyl (2S,3R,4R)-3-(2-cyclopropylpropan-2-yl)-4-methylpyrrolidine-2-carboxylate
CID 70879037

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate (CID 134349052) is methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate is COC(=O)[C@H]1NC[C@@H](OC(=O)C(F)(F)F)[C@H]1F.
What is the InChIKey of methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate?
The InChIKey is DUBVZMHJOBVVPZ-WDCZJNDASA-N. The full InChI is InChI=1S/C8H9F4NO4/c1-16-6(14)5-4(9)3(2-13-5)17-7(15)8(10,11)12/h3-5,13H,2H2,1H3/t3-,4-,5+/m1/s1.
What are the key properties of methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate?
methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate has a molecular weight of 259.16 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R)-3-fluoro-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 134349052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).