2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride

C6H14Cl2F2N2 — CID 86717902

IUPAC2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCC(F)(F)C1
InChIInChI=1S/C6H12F2N2.2ClH/c7-6(8)1-3-10(5-6)4-2-9;;/h1-5,9H2;2*1H
InChIKeyLVDSGHMSNSOTNM-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.13
Rot. Bonds2

About 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride

2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride (PubChem CID 86717902) has the molecular formula C6H14Cl2F2N2 and a molecular weight of 223.09 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride
PubChem CID86717902
Molecular FormulaC6H14Cl2F2N2
Molecular Weight223.09 g/mol
Exact Mass222.05
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCC(F)(F)C1
InChIInChI=1S/C6H12F2N2.2ClH/c7-6(8)1-3-10(5-6)4-2-9;;/h1-5,9H2;2*1H
InChIKeyLVDSGHMSNSOTNM-UHFFFAOYSA-N
XLogP1.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.13
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)ethanamine;dihydrochloride?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride (CID 86717902) is 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride is Cl.Cl.NCCN1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride?
The InChIKey is LVDSGHMSNSOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2.2ClH/c7-6(8)1-3-10(5-6)4-2-9;;/h1-5,9H2;2*1H.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride?
2-(3,3-difluoropyrrolidin-1-yl)ethanamine;dihydrochloride has a molecular weight of 223.09 g/mol, XLogP of 1.13, 2 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)ethanamine;dihydrochloride is sourced from PubChem (CID 86717902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).