(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine

C13H23F2N — CID 151270858

IUPAC(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
SMILESC=CCCC(F)(F)[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C13H23F2N/c1-5-6-8-13(14,15)11-7-9-16(10-11)12(2,3)4/h5,11H,1,6-10H2,2-4H3/t11-/m1/s1
InChIKeyNWIICGYSMKAXOB-LLVKDONJSA-N
MW231.33 g/mol
LogP3.71
Rot. Bonds4

About (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine

(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine (PubChem CID 151270858) has the molecular formula C13H23F2N and a molecular weight of 231.33 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
PubChem CID151270858
Molecular FormulaC13H23F2N
Molecular Weight231.33 g/mol
Exact Mass231.18
IUPAC Name(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
SMILESC=CCCC(F)(F)[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C13H23F2N/c1-5-6-8-13(14,15)11-7-9-16(10-11)12(2,3)4/h5,11H,1,6-10H2,2-4H3/t11-/m1/s1
InChIKeyNWIICGYSMKAXOB-LLVKDONJSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine?
The IUPAC name of (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine (CID 151270858) is (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine.
What is the SMILES notation for (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine?
The canonical SMILES for (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine is C=CCCC(F)(F)[C@@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine?
The InChIKey is NWIICGYSMKAXOB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23F2N/c1-5-6-8-13(14,15)11-7-9-16(10-11)12(2,3)4/h5,11H,1,6-10H2,2-4H3/t11-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine?
(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine has a molecular weight of 231.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine is sourced from PubChem (CID 151270858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).