2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

C8H14F2N2O2 — CID 70904969

IUPAC2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOC[C@@H]1CC(F)(F)CN1C(=O)CN
InChIInChI=1S/C8H14F2N2O2/c1-14-4-6-2-8(9,10)5-12(6)7(13)3-11/h6H,2-5,11H2,1H3/t6-/m0/s1
InChIKeyBUSJQHHZQPCELS-LURJTMIESA-N
MW208.21 g/mol
LogP-0.17
Rot. Bonds3

About 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 70904969) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID70904969
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOC[C@@H]1CC(F)(F)CN1C(=O)CN
InChIInChI=1S/C8H14F2N2O2/c1-14-4-6-2-8(9,10)5-12(6)7(13)3-11/h6H,2-5,11H2,1H3/t6-/m0/s1
InChIKeyBUSJQHHZQPCELS-LURJTMIESA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 70904969) is 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is COC[C@@H]1CC(F)(F)CN1C(=O)CN.
What is the InChIKey of 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is BUSJQHHZQPCELS-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-14-4-6-2-8(9,10)5-12(6)7(13)3-11/h6H,2-5,11H2,1H3/t6-/m0/s1.
What are the key properties of 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 208.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2S)-4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 70904969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).