[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone

C11H18FNO2 — CID 139364670

IUPAC[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1F
InChIInChI=1S/C11H18FNO2/c1-8-6-13(7-10(8)12)11(14)9-2-4-15-5-3-9/h8-10H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyQEQKEQMOYNTEFT-SCZZXKLOSA-N
MW215.27 g/mol
LogP1.23
Rot. Bonds1

About [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone

[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 139364670) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID139364670
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1F
InChIInChI=1S/C11H18FNO2/c1-8-6-13(7-10(8)12)11(14)9-2-4-15-5-3-9/h8-10H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyQEQKEQMOYNTEFT-SCZZXKLOSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 139364670) is [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone is C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1F.
What is the InChIKey of [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is QEQKEQMOYNTEFT-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-8-6-13(7-10(8)12)11(14)9-2-4-15-5-3-9/h8-10H,2-7H2,1H3/t8-,10+/m1/s1.
What are the key properties of [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 215.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 139364670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).