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

C10H18F3NO2 — CID 62271772

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
SMILESCCN(CC(F)(F)F)CC(C)(CC)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-4-9(3,8(15)16)6-14(5-2)7-10(11,12)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyCOYLJKDTGMPPEQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.37
Rot. Bonds6

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

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid (PubChem CID 62271772) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
PubChem CID62271772
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
SMILESCCN(CC(F)(F)F)CC(C)(CC)C(=O)O
InChIInChI=1S/C10H18F3NO2/c1-4-9(3,8(15)16)6-14(5-2)7-10(11,12)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyCOYLJKDTGMPPEQ-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708735
3-[(3,3-Dimethylbutyl)(methyl)amino]propanoic acid hydrochloride
CID 145874507
3-(3,3-Dimethylbutylamino)-4,4,4-trifluorobutanoic acid
CID 57632472
3-((3,3-Dimethylbutyl)(methyl)amino)propanoic acid
CID 60986793
1-Tert-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 178951391
2-Ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055361
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid
CID 55055409
2-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 55055456
2-Methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
CID 55055457
2-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butanoic acid
CID 55142133
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

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid (CID 62271772) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid is CCN(CC(F)(F)F)CC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid?
The InChIKey is COYLJKDTGMPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-9(3,8(15)16)6-14(5-2)7-10(11,12)13/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 62271772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).