(3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine

C10H20FN — CID 58222006

IUPAC(3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine
SMILESCCC(CC)CN1CC[C@@H](F)C1
InChIInChI=1S/C10H20FN/c1-3-9(4-2)7-12-6-5-10(11)8-12/h9-10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeySOCBOFVTELDSOF-SNVBAGLBSA-N
MW173.27 g/mol
LogP2.47
Rot. Bonds4

About (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine

(3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine (PubChem CID 58222006) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine
PubChem CID58222006
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine
SMILESCCC(CC)CN1CC[C@@H](F)C1
InChIInChI=1S/C10H20FN/c1-3-9(4-2)7-12-6-5-10(11)8-12/h9-10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeySOCBOFVTELDSOF-SNVBAGLBSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine (CID 58222006) is (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine is CCC(CC)CN1CC[C@@H](F)C1.
What is the InChIKey of (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine?
The InChIKey is SOCBOFVTELDSOF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20FN/c1-3-9(4-2)7-12-6-5-10(11)8-12/h9-10H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine?
(3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine has a molecular weight of 173.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethylbutyl)-3-fluoropyrrolidine is sourced from PubChem (CID 58222006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).