tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate

C10H16F3NO3 — CID 154523095

IUPACtert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CC1C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(2,3)17-8(16)14-5-6(15)4-7(14)10(11,12)13/h6-7,15H,4-5H2,1-3H3
InChIKeyLHHCPBHFTMOFJS-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.92
Rot. Bonds

About tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate (PubChem CID 154523095) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
PubChem CID154523095
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Nametert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)CC1C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(2,3)17-8(16)14-5-6(15)4-7(14)10(11,12)13/h6-7,15H,4-5H2,1-3H3
InChIKeyLHHCPBHFTMOFJS-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S,4R)-2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 97103095
tert-butyl (2R,4R)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 162342554
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
tert-butyl (2S,4R)-2-(dihydroxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 167170201
tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
CID 159053694
tert-butyl (2S,4S)-2,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 165101492
sodium;hydride;(4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 173126664
tert-butyl 2-formyl-4-hydroxypyrrolidine-1-carboxylate;methanol
CID 143021832
2-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 155819570
tert-butyl 4-hydroxy-2-propylpyrrolidine-1-carboxylate
CID 102568585

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate (CID 154523095) is tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)CC1C(F)(F)F.
What is the InChIKey of tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate?
The InChIKey is LHHCPBHFTMOFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(2,3)17-8(16)14-5-6(15)4-7(14)10(11,12)13/h6-7,15H,4-5H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate?
tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate has a molecular weight of 255.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 154523095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).