(3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine

C8H17FN2 — CID 165388181

IUPAC(3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine
SMILESCC(C)(C)N[C@H]1CNC[C@H]1F
InChIInChI=1S/C8H17FN2/c1-8(2,3)11-7-5-10-4-6(7)9/h6-7,10-11H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyOEGUAGSNJBXSCF-RQJHMYQMSA-N
MW160.24 g/mol
LogP0.68
Rot. Bonds1

About (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine

(3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine (PubChem CID 165388181) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine
PubChem CID165388181
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine
SMILESCC(C)(C)N[C@H]1CNC[C@H]1F
InChIInChI=1S/C8H17FN2/c1-8(2,3)11-7-5-10-4-6(7)9/h6-7,10-11H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyOEGUAGSNJBXSCF-RQJHMYQMSA-N
XLogP0.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine?
The IUPAC name of (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine (CID 165388181) is (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine is CC(C)(C)N[C@H]1CNC[C@H]1F.
What is the InChIKey of (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine?
The InChIKey is OEGUAGSNJBXSCF-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H17FN2/c1-8(2,3)11-7-5-10-4-6(7)9/h6-7,10-11H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine?
(3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine has a molecular weight of 160.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-tert-butyl-4-fluoropyrrolidin-3-amine is sourced from PubChem (CID 165388181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).