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

C6H13ClF2N2 — CID 105442389

IUPAC2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
SMILESCl.NCCN1CCC(F)(F)C1
InChIInChI=1S/C6H12F2N2.ClH/c7-6(8)1-3-10(5-6)4-2-9;/h1-5,9H2;1H
InChIKeyXGEJSKZIYRMDSD-UHFFFAOYSA-N
MW186.63 g/mol
LogP0.71
Rot. Bonds2

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

2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride (PubChem CID 105442389) has the molecular formula C6H13ClF2N2 and a molecular weight of 186.63 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
PubChem CID105442389
Molecular FormulaC6H13ClF2N2
Molecular Weight186.63 g/mol
Exact Mass186.07
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
SMILESCl.NCCN1CCC(F)(F)C1
InChIInChI=1S/C6H12F2N2.ClH/c7-6(8)1-3-10(5-6)4-2-9;/h1-5,9H2;1H
InChIKeyXGEJSKZIYRMDSD-UHFFFAOYSA-N
XLogP0.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.63
LogP ≤ 50.71
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;hydrochloride?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride (CID 105442389) is 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride is Cl.NCCN1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride?
The InChIKey is XGEJSKZIYRMDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2.ClH/c7-6(8)1-3-10(5-6)4-2-9;/h1-5,9H2;1H.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride?
2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride has a molecular weight of 186.63 g/mol, XLogP of 0.71, 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;hydrochloride is sourced from PubChem (CID 105442389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).