3-tert-butyl-1-ethyl-4-fluoropyrrolidine

C10H20FN — CID 58530553

IUPAC3-tert-butyl-1-ethyl-4-fluoropyrrolidine
SMILESCCN1CC(F)C(C(C)(C)C)C1
InChIInChI=1S/C10H20FN/c1-5-12-6-8(9(11)7-12)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyNMEFTRHFHAKBBA-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.32
Rot. Bonds1

About 3-tert-butyl-1-ethyl-4-fluoropyrrolidine

3-tert-butyl-1-ethyl-4-fluoropyrrolidine (PubChem CID 58530553) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-4-fluoropyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-4-fluoropyrrolidine
PubChem CID58530553
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name3-tert-butyl-1-ethyl-4-fluoropyrrolidine
SMILESCCN1CC(F)C(C(C)(C)C)C1
InChIInChI=1S/C10H20FN/c1-5-12-6-8(9(11)7-12)10(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyNMEFTRHFHAKBBA-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-4-fluoropyrrolidine?
The IUPAC name of 3-tert-butyl-1-ethyl-4-fluoropyrrolidine (CID 58530553) is 3-tert-butyl-1-ethyl-4-fluoropyrrolidine.
What is the SMILES notation for 3-tert-butyl-1-ethyl-4-fluoropyrrolidine?
The canonical SMILES for 3-tert-butyl-1-ethyl-4-fluoropyrrolidine is CCN1CC(F)C(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-ethyl-4-fluoropyrrolidine?
The InChIKey is NMEFTRHFHAKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-5-12-6-8(9(11)7-12)10(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-1-ethyl-4-fluoropyrrolidine?
3-tert-butyl-1-ethyl-4-fluoropyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-4-fluoropyrrolidine is sourced from PubChem (CID 58530553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).