tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate

C10H16FNO3 — CID 124562501

IUPACtert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](F)(C=O)C1
InChIInChI=1S/C10H16FNO3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h7H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyMPYNWEUJDBXJRL-SNVBAGLBSA-N
MW217.24 g/mol
LogP1.53
Rot. Bonds1

About tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate

tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate (PubChem CID 124562501) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate
PubChem CID124562501
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Nametert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@](F)(C=O)C1
InChIInChI=1S/C10H16FNO3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h7H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyMPYNWEUJDBXJRL-SNVBAGLBSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 3,3-difluoro-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
CID 129320031
acetylene;tert-butyl 3,3-difluoropyrrolidine-1-carboxylate;methyl formate
CID 143752106
tert-butyl 3-cyano-3-formylpyrrolidine-1-carboxylate
CID 130067975
tert-butyl 3-formyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 91293253
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl (3S)-3-ethynyl-3-fluoropyrrolidine-1-carboxylate
CID 171934896
tert-butyl 3-fluoro-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 171704383
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl (3R)-3-(ethoxymethyl)-3-formylpyrrolidine-1-carboxylate
CID 140909090
tert-butyl (3S)-3-(ethoxymethyl)-3-formylpyrrolidine-1-carboxylate
CID 135329993

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate (CID 124562501) is tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@](F)(C=O)C1.
What is the InChIKey of tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate?
The InChIKey is MPYNWEUJDBXJRL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-9(2,3)15-8(14)12-5-4-10(11,6-12)7-13/h7H,4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate?
tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate has a molecular weight of 217.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-fluoro-3-formylpyrrolidine-1-carboxylate is sourced from PubChem (CID 124562501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).