3-fluoro-3-propylpyrrolidine

C7H14FN — CID 83815033

IUPAC3-fluoro-3-propylpyrrolidine
SMILESCCCC1(F)CCNC1
InChIInChI=1S/C7H14FN/c1-2-3-7(8)4-5-9-6-7/h9H,2-6H2,1H3
InChIKeyYRRUBYJKMPBZRL-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.49
Rot. Bonds2

About 3-fluoro-3-propylpyrrolidine

3-fluoro-3-propylpyrrolidine (PubChem CID 83815033) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-fluoro-3-propylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-propylpyrrolidine
PubChem CID83815033
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-fluoro-3-propylpyrrolidine
SMILESCCCC1(F)CCNC1
InChIInChI=1S/C7H14FN/c1-2-3-7(8)4-5-9-6-7/h9H,2-6H2,1H3
InChIKeyYRRUBYJKMPBZRL-UHFFFAOYSA-N
XLogP1.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-propylpyrrolidine?
The IUPAC name of 3-fluoro-3-propylpyrrolidine (CID 83815033) is 3-fluoro-3-propylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-propylpyrrolidine?
The canonical SMILES for 3-fluoro-3-propylpyrrolidine is CCCC1(F)CCNC1.
What is the InChIKey of 3-fluoro-3-propylpyrrolidine?
The InChIKey is YRRUBYJKMPBZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-2-3-7(8)4-5-9-6-7/h9H,2-6H2,1H3.
What are the key properties of 3-fluoro-3-propylpyrrolidine?
3-fluoro-3-propylpyrrolidine has a molecular weight of 131.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-propylpyrrolidine is sourced from PubChem (CID 83815033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).