2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine

C8H16F2N2O — CID 121204099

IUPAC2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CC(F)(F)CN1CCN
InChIInChI=1S/C8H16F2N2O/c1-13-5-7-4-8(9,10)6-12(7)3-2-11/h7H,2-6,11H2,1H3
InChIKeyBEMYJYMMVMQWHK-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.30
Rot. Bonds4

About 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine

2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine (PubChem CID 121204099) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine
PubChem CID121204099
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine
SMILESCOCC1CC(F)(F)CN1CCN
InChIInChI=1S/C8H16F2N2O/c1-13-5-7-4-8(9,10)6-12(7)3-2-11/h7H,2-6,11H2,1H3
InChIKeyBEMYJYMMVMQWHK-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine (CID 121204099) is 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine is COCC1CC(F)(F)CN1CCN.
What is the InChIKey of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is BEMYJYMMVMQWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-13-5-7-4-8(9,10)6-12(7)3-2-11/h7H,2-6,11H2,1H3.
What are the key properties of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine?
2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 194.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 121204099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).