3-(fluoromethoxy)-1-propan-2-ylpyrrolidine

C8H16FNO — CID 155640506

IUPAC3-(fluoromethoxy)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(OCF)C1
InChIInChI=1S/C8H16FNO/c1-7(2)10-4-3-8(5-10)11-6-9/h7-8H,3-6H2,1-2H3
InChIKeyLMPZLUBJFQFPSC-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.41
Rot. Bonds3

About 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine

3-(fluoromethoxy)-1-propan-2-ylpyrrolidine (PubChem CID 155640506) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(fluoromethoxy)-1-propan-2-ylpyrrolidine
PubChem CID155640506
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-(fluoromethoxy)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCC(OCF)C1
InChIInChI=1S/C8H16FNO/c1-7(2)10-4-3-8(5-10)11-6-9/h7-8H,3-6H2,1-2H3
InChIKeyLMPZLUBJFQFPSC-UHFFFAOYSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine (CID 155640506) is 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine is CC(C)N1CCC(OCF)C1.
What is the InChIKey of 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine?
The InChIKey is LMPZLUBJFQFPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2)10-4-3-8(5-10)11-6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine?
3-(fluoromethoxy)-1-propan-2-ylpyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 155640506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).