ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate

C10H20FNO2 — CID 81113670

IUPACethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(CCCF)C(C)C
InChIInChI=1S/C10H20FNO2/c1-4-14-10(13)8-12(9(2)3)7-5-6-11/h9H,4-8H2,1-3H3
InChIKeyXUXXVTFXMONQIN-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.62
Rot. Bonds7

About ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate

ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate (PubChem CID 81113670) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
PubChem CID81113670
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Nameethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(CCCF)C(C)C
InChIInChI=1S/C10H20FNO2/c1-4-14-10(13)8-12(9(2)3)7-5-6-11/h9H,4-8H2,1-3H3
InChIKeyXUXXVTFXMONQIN-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate (CID 81113670) is ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate is CCOC(=O)CN(CCCF)C(C)C.
What is the InChIKey of ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate?
The InChIKey is XUXXVTFXMONQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-4-14-10(13)8-12(9(2)3)7-5-6-11/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate?
ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate has a molecular weight of 205.27 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 81113670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).