ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate

C10H16F3NO3 — CID 63899255

IUPACethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-17-9(16)7-4-3-5-14(7)6-8(15)10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyAVFICSNLODGIIL-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.94
Rot. Bonds4

About ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate

ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate (PubChem CID 63899255) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate
PubChem CID63899255
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nameethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-17-9(16)7-4-3-5-14(7)6-8(15)10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyAVFICSNLODGIIL-UHFFFAOYSA-N
XLogP0.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)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 (S)-(-)-1-Ethyl-2-pyrrolidinecarboxylate
CID 10942897
Ethyl (R)-(+)-1-Ethyl-2-pyrrolidinecarboxylate
CID 44630281
Proline, trifluoroacetyl-isopropyl ester
CID 529799
2,2,2-trifluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 155542762
2,2-difluoroethyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 155549249
L-Proline, N-(trifluoroacetyl)-, butyl ester
CID 13783332
l-Proline, n-pentafluoropropionyl-, butyl ester
CID 85984511
l-Proline, n-heptafluorobutyryl-, butyl ester
CID 86238572
l-Proline, n-pentafluoropropionyl-, pentyl ester
CID 91735112
l-Proline, n-heptafluorobutyryl-, pentyl ester
CID 91739824
Proline, N-methyl-, butyl ester
CID 527835
tert-butyl (2S)-1-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 132585876

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate (CID 63899255) is ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC(O)C(F)(F)F.
What is the InChIKey of ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate?
The InChIKey is AVFICSNLODGIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-17-9(16)7-4-3-5-14(7)6-8(15)10(11,12)13/h7-8,15H,2-6H2,1H3.
What are the key properties of ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate?
ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 63899255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).