methyl 2-[2-fluoropropyl(methyl)amino]acetate

C7H14FNO2 — CID 44521769

IUPACmethyl 2-[2-fluoropropyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)CC(C)F
InChIInChI=1S/C7H14FNO2/c1-6(8)4-9(2)5-7(10)11-3/h6H,4-5H2,1-3H3
InChIKeyAALWDSVLXKHHEY-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.45
Rot. Bonds4

About methyl 2-[2-fluoropropyl(methyl)amino]acetate

methyl 2-[2-fluoropropyl(methyl)amino]acetate (PubChem CID 44521769) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is methyl 2-[2-fluoropropyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-fluoropropyl(methyl)amino]acetate
PubChem CID44521769
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Namemethyl 2-[2-fluoropropyl(methyl)amino]acetate
SMILESCOC(=O)CN(C)CC(C)F
InChIInChI=1S/C7H14FNO2/c1-6(8)4-9(2)5-7(10)11-3/h6H,4-5H2,1-3H3
InChIKeyAALWDSVLXKHHEY-UHFFFAOYSA-N
XLogP0.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-fluoropropyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[2-fluoropropyl(methyl)amino]acetate (CID 44521769) is methyl 2-[2-fluoropropyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-fluoropropyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[2-fluoropropyl(methyl)amino]acetate is COC(=O)CN(C)CC(C)F.
What is the InChIKey of methyl 2-[2-fluoropropyl(methyl)amino]acetate?
The InChIKey is AALWDSVLXKHHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-6(8)4-9(2)5-7(10)11-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-[2-fluoropropyl(methyl)amino]acetate?
methyl 2-[2-fluoropropyl(methyl)amino]acetate has a molecular weight of 163.19 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-fluoropropyl(methyl)amino]acetate is sourced from PubChem (CID 44521769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).