[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone

C12H20FNO2 — CID 153329545

IUPAC[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCOC2)C[C@@H]1F
InChIInChI=1S/C12H20FNO2/c1-8(2)10-5-14(6-11(10)13)12(15)9-3-4-16-7-9/h8-11H,3-7H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyVNRVZMAEOXWRLV-ILDUYXDCSA-N
MW229.29 g/mol
LogP1.48
Rot. Bonds2

About [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone

[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 153329545) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID153329545
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC Name[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCOC2)C[C@@H]1F
InChIInChI=1S/C12H20FNO2/c1-8(2)10-5-14(6-11(10)13)12(15)9-3-4-16-7-9/h8-11H,3-7H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyVNRVZMAEOXWRLV-ILDUYXDCSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone (CID 153329545) is [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone is CC(C)C1CN(C(=O)C2CCOC2)C[C@@H]1F.
What is the InChIKey of [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is VNRVZMAEOXWRLV-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-8(2)10-5-14(6-11(10)13)12(15)9-3-4-16-7-9/h8-11H,3-7H2,1-2H3/t9?,10?,11-/m0/s1.
What are the key properties of [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone?
[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 229.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 153329545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).