1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C11H20FNO2 — CID 134271508

IUPAC1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(F)OC1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H20FNO2/c1-8(12)15-9-5-6-13(7-9)10(14)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyGQHPQGKUERSBKY-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.97
Rot. Bonds2

About 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134271508) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134271508
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(F)OC1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H20FNO2/c1-8(12)15-9-5-6-13(7-9)10(14)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyGQHPQGKUERSBKY-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 134271508) is 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(F)OC1CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is GQHPQGKUERSBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-8(12)15-9-5-6-13(7-9)10(14)11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 217.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134271508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).