2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine

C7H14F2N2 — CID 115012926

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine
SMILESCNCCN1CCC(F)(F)C1
InChIInChI=1S/C7H14F2N2/c1-10-3-5-11-4-2-7(8,9)6-11/h10H,2-6H2,1H3
InChIKeyXCRMYLVUCQCAMI-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.55
Rot. Bonds3

About 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine

2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine (PubChem CID 115012926) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine
PubChem CID115012926
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine
SMILESCNCCN1CCC(F)(F)C1
InChIInChI=1S/C7H14F2N2/c1-10-3-5-11-4-2-7(8,9)6-11/h10H,2-6H2,1H3
InChIKeyXCRMYLVUCQCAMI-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine (CID 115012926) is 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine is CNCCN1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine?
The InChIKey is XCRMYLVUCQCAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-10-3-5-11-4-2-7(8,9)6-11/h10H,2-6H2,1H3.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine?
2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine has a molecular weight of 164.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 115012926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).