2-tert-butyl-1-(2-fluoroethyl)pyrrolidine

C10H20FN — CID 126995746

IUPAC2-tert-butyl-1-(2-fluoroethyl)pyrrolidine
SMILESCC(C)(C)C1CCCN1CCF
InChIInChI=1S/C10H20FN/c1-10(2,3)9-5-4-7-12(9)8-6-11/h9H,4-8H2,1-3H3
InChIKeyFJKZMBWRFXHJIM-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.47
Rot. Bonds2

About 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine

2-tert-butyl-1-(2-fluoroethyl)pyrrolidine (PubChem CID 126995746) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-1-(2-fluoroethyl)pyrrolidine
PubChem CID126995746
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name2-tert-butyl-1-(2-fluoroethyl)pyrrolidine
SMILESCC(C)(C)C1CCCN1CCF
InChIInChI=1S/C10H20FN/c1-10(2,3)9-5-4-7-12(9)8-6-11/h9H,4-8H2,1-3H3
InChIKeyFJKZMBWRFXHJIM-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine?
The IUPAC name of 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine (CID 126995746) is 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine.
What is the SMILES notation for 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine?
The canonical SMILES for 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine is CC(C)(C)C1CCCN1CCF.
What is the InChIKey of 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine?
The InChIKey is FJKZMBWRFXHJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2,3)9-5-4-7-12(9)8-6-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine?
2-tert-butyl-1-(2-fluoroethyl)pyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2-fluoroethyl)pyrrolidine is sourced from PubChem (CID 126995746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).