5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine

C10H20F2N2 — CID 167126947

IUPAC5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine
SMILESCCCC(C)(C)NC1CNC(F)(F)C1
InChIInChI=1S/C10H20F2N2/c1-4-5-9(2,3)14-8-6-10(11,12)13-7-8/h8,13-14H,4-7H2,1-3H3
InChIKeyGOQMZRDJJSWGHM-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.11
Rot. Bonds4

About 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine

5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine (PubChem CID 167126947) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine
PubChem CID167126947
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine
SMILESCCCC(C)(C)NC1CNC(F)(F)C1
InChIInChI=1S/C10H20F2N2/c1-4-5-9(2,3)14-8-6-10(11,12)13-7-8/h8,13-14H,4-7H2,1-3H3
InChIKeyGOQMZRDJJSWGHM-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine (CID 167126947) is 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine is CCCC(C)(C)NC1CNC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine?
The InChIKey is GOQMZRDJJSWGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-4-5-9(2,3)14-8-6-10(11,12)13-7-8/h8,13-14H,4-7H2,1-3H3.
What are the key properties of 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine?
5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine has a molecular weight of 206.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-(2-methylpentan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 167126947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).