N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine

C8H16F2N2 — CID 88919139

IUPACN-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine
SMILESCCN1CCC(NCC(F)F)C1
InChIInChI=1S/C8H16F2N2/c1-2-12-4-3-7(6-12)11-5-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyVPHXFKMONPSYAU-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.94
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine

N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine (PubChem CID 88919139) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine
PubChem CID88919139
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine
SMILESCCN1CCC(NCC(F)F)C1
InChIInChI=1S/C8H16F2N2/c1-2-12-4-3-7(6-12)11-5-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyVPHXFKMONPSYAU-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine (CID 88919139) is N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine is CCN1CCC(NCC(F)F)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine?
The InChIKey is VPHXFKMONPSYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-2-12-4-3-7(6-12)11-5-8(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine?
N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine has a molecular weight of 178.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-ethylpyrrolidin-3-amine is sourced from PubChem (CID 88919139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).