ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate

C11H18F3NO2 — CID 99604248

IUPACethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1[C@@H](C)CC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-3-17-10(16)9-5-4-6-15(9)8(2)7-11(12,13)14/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeySORVPRIZUMDVOE-DTWKUNHWSA-N
MW253.26 g/mol
LogP2.35
Rot. Bonds4

About ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate

ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate (PubChem CID 99604248) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate
PubChem CID99604248
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Nameethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1[C@@H](C)CC(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-3-17-10(16)9-5-4-6-15(9)8(2)7-11(12,13)14/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeySORVPRIZUMDVOE-DTWKUNHWSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-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

ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028384
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
tert-butyl (2S)-1-(1-ethoxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylate
CID 115537254
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
CID 62028568
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
ethyl 1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
CID 86238608
1-butan-2-ylpyrrolidine-2-carboxamide
CID 131201186
ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 103021763
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate (CID 99604248) is ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate is CCOC(=O)[C@H]1CCCN1[C@@H](C)CC(F)(F)F.
What is the InChIKey of ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is SORVPRIZUMDVOE-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-17-10(16)9-5-4-6-15(9)8(2)7-11(12,13)14/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate?
ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 99604248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).