4-fluoro-2-(2-methylpropyl)pyrrolidine

C8H16FN — CID 84716310

IUPAC4-fluoro-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(F)CN1
InChIInChI=1S/C8H16FN/c1-6(2)3-8-4-7(9)5-10-8/h6-8,10H,3-5H2,1-2H3
InChIKeyOCVZSMDETHMUAL-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds2

About 4-fluoro-2-(2-methylpropyl)pyrrolidine

4-fluoro-2-(2-methylpropyl)pyrrolidine (PubChem CID 84716310) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name4-fluoro-2-(2-methylpropyl)pyrrolidine
PubChem CID84716310
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-fluoro-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(F)CN1
InChIInChI=1S/C8H16FN/c1-6(2)3-8-4-7(9)5-10-8/h6-8,10H,3-5H2,1-2H3
InChIKeyOCVZSMDETHMUAL-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 4-fluoro-2-(2-methylpropyl)pyrrolidine (CID 84716310) is 4-fluoro-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 4-fluoro-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 4-fluoro-2-(2-methylpropyl)pyrrolidine is CC(C)CC1CC(F)CN1.
What is the InChIKey of 4-fluoro-2-(2-methylpropyl)pyrrolidine?
The InChIKey is OCVZSMDETHMUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(2)3-8-4-7(9)5-10-8/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-2-(2-methylpropyl)pyrrolidine?
4-fluoro-2-(2-methylpropyl)pyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 84716310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).