[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone

C13H22FNO2 — CID 155261709

IUPAC[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone
SMILESCC(C)(C)[C@@H]1CN(C(=O)C2CCOC2)C[C@@H]1F
InChIInChI=1S/C13H22FNO2/c1-13(2,3)10-6-15(7-11(10)14)12(16)9-4-5-17-8-9/h9-11H,4-8H2,1-3H3/t9?,10-,11+/m1/s1
InChIKeyZHYQNHDBYZPGFQ-ZOCYIJKUSA-N
MW243.32 g/mol
LogP1.87
Rot. Bonds1

About [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone

[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 155261709) has the molecular formula C13H22FNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID155261709
Molecular FormulaC13H22FNO2
Molecular Weight243.32 g/mol
Exact Mass243.16
IUPAC Name[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone
SMILESCC(C)(C)[C@@H]1CN(C(=O)C2CCOC2)C[C@@H]1F
InChIInChI=1S/C13H22FNO2/c1-13(2,3)10-6-15(7-11(10)14)12(16)9-4-5-17-8-9/h9-11H,4-8H2,1-3H3/t9?,10-,11+/m1/s1
InChIKeyZHYQNHDBYZPGFQ-ZOCYIJKUSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone (CID 155261709) is [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone is CC(C)(C)[C@@H]1CN(C(=O)C2CCOC2)C[C@@H]1F.
What is the InChIKey of [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is ZHYQNHDBYZPGFQ-ZOCYIJKUSA-N. The full InChI is InChI=1S/C13H22FNO2/c1-13(2,3)10-6-15(7-11(10)14)12(16)9-4-5-17-8-9/h9-11H,4-8H2,1-3H3/t9?,10-,11+/m1/s1.
What are the key properties of [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone?
[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 243.32 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 155261709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).