2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid

C10H18F3NO2 — CID 62270849

IUPAC2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(C)N(CC(F)(F)F)CC(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-7(2)14(6-10(11,12)13)5-9(3,4)8(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyZFIAPRKJXQCUBR-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.37
Rot. Bonds5

About 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid

2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 62270849) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID62270849
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCC(C)N(CC(F)(F)F)CC(C)(C)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-7(2)14(6-10(11,12)13)5-9(3,4)8(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyZFIAPRKJXQCUBR-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 62270849) is 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid is CC(C)N(CC(F)(F)F)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is ZFIAPRKJXQCUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(2)14(6-10(11,12)13)5-9(3,4)8(15)16/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid?
2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 62270849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).