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

C6H12F2N2 — CID 53403552

IUPAC2-(3,3-difluoropyrrolidin-1-yl)ethanamine
SMILESNCCN1CCC(F)(F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)1-3-10(5-6)4-2-9/h1-5,9H2
InChIKeyLBIOMKUSKYNSCF-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.29
Rot. Bonds2

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

2-(3,3-difluoropyrrolidin-1-yl)ethanamine (PubChem CID 53403552) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)ethanamine
PubChem CID53403552
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)ethanamine
SMILESNCCN1CCC(F)(F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)1-3-10(5-6)4-2-9/h1-5,9H2
InChIKeyLBIOMKUSKYNSCF-UHFFFAOYSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.29
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?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine (CID 53403552) is 2-(3,3-difluoropyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)ethanamine is NCCN1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
The InChIKey is LBIOMKUSKYNSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c7-6(8)1-3-10(5-6)4-2-9/h1-5,9H2.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
2-(3,3-difluoropyrrolidin-1-yl)ethanamine has a molecular weight of 150.17 g/mol, XLogP of 0.29, 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 is sourced from PubChem (CID 53403552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).