4-fluoro-1-methyl-2-propan-2-ylpyrrolidine

C8H16FN — CID 67725268

IUPAC4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(F)CN1C
InChIInChI=1S/C8H16FN/c1-6(2)8-4-7(9)5-10(8)3/h6-8H,4-5H2,1-3H3
InChIKeySBTOTQARKOFZMO-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.68
Rot. Bonds1

About 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine

4-fluoro-1-methyl-2-propan-2-ylpyrrolidine (PubChem CID 67725268) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
PubChem CID67725268
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(F)CN1C
InChIInChI=1S/C8H16FN/c1-6(2)8-4-7(9)5-10(8)3/h6-8H,4-5H2,1-3H3
InChIKeySBTOTQARKOFZMO-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine (CID 67725268) is 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine is CC(C)C1CC(F)CN1C.
What is the InChIKey of 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is SBTOTQARKOFZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)8-4-7(9)5-10(8)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine?
4-fluoro-1-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 67725268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).