3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid

C8H15F2NO2 — CID 62852992

IUPAC3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(F)F)CC(C)C(=O)O
InChIInChI=1S/C8H15F2NO2/c1-3-11(5-7(9)10)4-6(2)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyQABXJSZEYFXVPD-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.29
Rot. Bonds6

About 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid

3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 62852992) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID62852992
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(F)F)CC(C)C(=O)O
InChIInChI=1S/C8H15F2NO2/c1-3-11(5-7(9)10)4-6(2)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyQABXJSZEYFXVPD-UHFFFAOYSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid (CID 62852992) is 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid is CCN(CC(F)F)CC(C)C(=O)O.
What is the InChIKey of 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is QABXJSZEYFXVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-3-11(5-7(9)10)4-6(2)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid?
3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 195.21 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).