tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate

C10H16FNO4 — CID 166040386

IUPACtert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1OC=O
InChIInChI=1S/C10H16FNO4/c1-10(2,3)16-9(14)12-5-7(11)4-8(12)15-6-13/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKeyNLPZKAIHQLAEDK-SFYZADRCSA-N
MW233.24 g/mol
LogP1.46
Rot. Bonds2

About tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate (PubChem CID 166040386) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
PubChem CID166040386
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Nametert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1OC=O
InChIInChI=1S/C10H16FNO4/c1-10(2,3)16-9(14)12-5-7(11)4-8(12)15-6-13/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1
InChIKeyNLPZKAIHQLAEDK-SFYZADRCSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,4S)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate
CID 121403612
tert-butyl (2S)-2-formyloxy-4-methylpyrrolidine-1-carboxylate
CID 174682221
tert-butyl (4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 154003917
tert-butyl (2R,4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 86614993
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24903603
tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 129370244
tert-butyl 4-fluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 102537964
1-O-tert-butyl 2-O-methyl (4R)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68725739
tert-butyl 4-fluoro-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 75217731
tert-butyl (2S,4S)-2-carbamothioyl-4-fluoropyrrolidine-1-carboxylate
CID 88899008
tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate (CID 166040386) is tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1OC=O.
What is the InChIKey of tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate?
The InChIKey is NLPZKAIHQLAEDK-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-10(2,3)16-9(14)12-5-7(11)4-8(12)15-6-13/h6-8H,4-5H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate has a molecular weight of 233.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-fluoro-2-formyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 166040386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).