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

C8H15F2NO2 — CID 62820146

IUPAC2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H15F2NO2/c1-4-11(5-6(9)10)8(2,3)7(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyBBQMVLPKZMEDPS-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.44
Rot. Bonds5

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

2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 62820146) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID62820146
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C8H15F2NO2/c1-4-11(5-6(9)10)8(2,3)7(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyBBQMVLPKZMEDPS-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid
CID 61438417
2-[2-aminoethyl(ethyl)amino]-2-methylpropanoic acid
CID 63652155
2-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061531
2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
CID 157400668
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
CID 79355288
2-[(2,5-difluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 62821130
2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123375
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 62821128
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid
CID 62822180
3-(diethylamino)-2,2,3-trimethylbutanoic acid
CID 79695117
2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid
CID 22683291
2-(diethylamino)-2-methylbutanoic acid
CID 43803567

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid (CID 62820146) is 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid is CCN(CC(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is BBQMVLPKZMEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-4-11(5-6(9)10)8(2,3)7(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid?
2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 195.21 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).