2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine

C8H16F2N2O — CID 145131539

IUPAC2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(OC(F)F)C1
InChIInChI=1S/C8H16F2N2O/c1-11-3-5-12-4-2-7(6-12)13-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyHASPIRAFWOIAOS-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.52
Rot. Bonds5

About 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine

2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine (PubChem CID 145131539) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine
PubChem CID145131539
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(OC(F)F)C1
InChIInChI=1S/C8H16F2N2O/c1-11-3-5-12-4-2-7(6-12)13-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyHASPIRAFWOIAOS-UHFFFAOYSA-N
XLogP0.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine (CID 145131539) is 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine is CNCCN1CCC(OC(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine?
The InChIKey is HASPIRAFWOIAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-11-3-5-12-4-2-7(6-12)13-8(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine?
2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine has a molecular weight of 194.22 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)pyrrolidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 145131539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).