3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid

C10H16F3NO2 — CID 62271774

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C10H16F3NO2/c1-9(2,8(15)16)5-14(7-3-4-7)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyZPXDKOOBXAROJA-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.12
Rot. Bonds5

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 62271774) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
PubChem CID62271774
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CN(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C10H16F3NO2/c1-9(2,8(15)16)5-14(7-3-4-7)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyZPXDKOOBXAROJA-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid (CID 62271774) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CN(CC(F)(F)F)C1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is ZPXDKOOBXAROJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(2,8(15)16)5-14(7-3-4-7)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 62271774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).