1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one

C11H20FNO — CID 130410184

IUPAC1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)[C@@H]1C[C@@H](F)CN1C
InChIInChI=1S/C11H20FNO/c1-4-5-8(2)11(14)10-6-9(12)7-13(10)3/h8-10H,4-7H2,1-3H3/t8?,9-,10+/m1/s1
InChIKeyUFZSDMNRGFTTNH-XVBQNVSMSA-N
MW201.28 g/mol
LogP2.03
Rot. Bonds4

About 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one

1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one (PubChem CID 130410184) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one
PubChem CID130410184
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)[C@@H]1C[C@@H](F)CN1C
InChIInChI=1S/C11H20FNO/c1-4-5-8(2)11(14)10-6-9(12)7-13(10)3/h8-10H,4-7H2,1-3H3/t8?,9-,10+/m1/s1
InChIKeyUFZSDMNRGFTTNH-XVBQNVSMSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one?
The IUPAC name of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one (CID 130410184) is 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one?
The canonical SMILES for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one is CCCC(C)C(=O)[C@@H]1C[C@@H](F)CN1C.
What is the InChIKey of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one?
The InChIKey is UFZSDMNRGFTTNH-XVBQNVSMSA-N. The full InChI is InChI=1S/C11H20FNO/c1-4-5-8(2)11(14)10-6-9(12)7-13(10)3/h8-10H,4-7H2,1-3H3/t8?,9-,10+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one?
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one has a molecular weight of 201.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one is sourced from PubChem (CID 130410184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).