2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid

C11H18F3NO2 — CID 55055409

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C11H18F3NO2/c1-3-10(2,9(16)17)6-15(8-4-5-8)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyIFWHCLANIBGXDJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.51
Rot. Bonds6

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid (PubChem CID 55055409) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
PubChem CID55055409
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(CC(F)(F)F)C1CC1)C(=O)O
InChIInChI=1S/C11H18F3NO2/c1-3-10(2,9(16)17)6-15(8-4-5-8)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyIFWHCLANIBGXDJ-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-Dimethylbutylamino)-4,4,4-trifluorobutanoic acid
CID 57632472
3-[(2,3-Dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid
CID 123970249
2-Ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055361
2-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055456
3-[Butan-2-yl(butyl)amino]-4,4,4-trifluorobutanoic acid
CID 55146327
3-[Bis(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid
CID 55146717
3-(4,4-Diethylpiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55158920
3-[Propyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 61604894
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 61605044
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 61605096
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62270138
2,2-Dimethyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62270849

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid (CID 55055409) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid is CCC(C)(CN(CC(F)(F)F)C1CC1)C(=O)O.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid?
The InChIKey is IFWHCLANIBGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-10(2,9(16)17)6-15(8-4-5-8)7-11(12,13)14/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 55055409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).