methyl 2-[(3,3-difluorocyclobutyl)amino]acetate

C7H11F2NO2 — CID 164871755

IUPACmethyl 2-[(3,3-difluorocyclobutyl)amino]acetate
SMILESCOC(=O)CNC1CC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)4-10-5-2-7(8,9)3-5/h5,10H,2-4H2,1H3
InChIKeyMZUHEFPXQNUKST-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.55
Rot. Bonds3

About methyl 2-[(3,3-difluorocyclobutyl)amino]acetate

methyl 2-[(3,3-difluorocyclobutyl)amino]acetate (PubChem CID 164871755) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 2-[(3,3-difluorocyclobutyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,3-difluorocyclobutyl)amino]acetate
PubChem CID164871755
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Namemethyl 2-[(3,3-difluorocyclobutyl)amino]acetate
SMILESCOC(=O)CNC1CC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)4-10-5-2-7(8,9)3-5/h5,10H,2-4H2,1H3
InChIKeyMZUHEFPXQNUKST-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,3-difluorocyclobutyl)amino]acetate?
The IUPAC name of methyl 2-[(3,3-difluorocyclobutyl)amino]acetate (CID 164871755) is methyl 2-[(3,3-difluorocyclobutyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3,3-difluorocyclobutyl)amino]acetate?
The canonical SMILES for methyl 2-[(3,3-difluorocyclobutyl)amino]acetate is COC(=O)CNC1CC(F)(F)C1.
What is the InChIKey of methyl 2-[(3,3-difluorocyclobutyl)amino]acetate?
The InChIKey is MZUHEFPXQNUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-12-6(11)4-10-5-2-7(8,9)3-5/h5,10H,2-4H2,1H3.
What are the key properties of methyl 2-[(3,3-difluorocyclobutyl)amino]acetate?
methyl 2-[(3,3-difluorocyclobutyl)amino]acetate has a molecular weight of 179.17 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,3-difluorocyclobutyl)amino]acetate is sourced from PubChem (CID 164871755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).