ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate

C8H16F2N2O2 — CID 90986126

IUPACethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(NCCN)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-3-14-7(13)8(2,6(9)10)12-5-4-11/h6,12H,3-5,11H2,1-2H3
InChIKeyMEHNBHNUADMASS-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.12
Rot. Bonds6

About ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate

ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate (PubChem CID 90986126) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate
PubChem CID90986126
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Nameethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate
SMILESCCOC(=O)C(C)(NCCN)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-3-14-7(13)8(2,6(9)10)12-5-4-11/h6,12H,3-5,11H2,1-2H3
InChIKeyMEHNBHNUADMASS-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate (CID 90986126) is ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate is CCOC(=O)C(C)(NCCN)C(F)F.
What is the InChIKey of ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate?
The InChIKey is MEHNBHNUADMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-3-14-7(13)8(2,6(9)10)12-5-4-11/h6,12H,3-5,11H2,1-2H3.
What are the key properties of ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate?
ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate has a molecular weight of 210.22 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminoethylamino)-3,3-difluoro-2-methylpropanoate is sourced from PubChem (CID 90986126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).