2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid

C12H14F3NO2 — CID 115462619

IUPAC2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
SMILESCN(Cc1ccccc1CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-16(8-12(13,14)15)7-10-5-3-2-4-9(10)6-11(17)18/h2-5H,6-8H2,1H3,(H,17,18)
InChIKeyFIZVDKYQBFBUPT-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid

2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid (PubChem CID 115462619) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
PubChem CID115462619
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
SMILESCN(Cc1ccccc1CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-16(8-12(13,14)15)7-10-5-3-2-4-9(10)6-11(17)18/h2-5H,6-8H2,1H3,(H,17,18)
InChIKeyFIZVDKYQBFBUPT-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
2-[2-(2,2-difluoropropyl)phenyl]acetic acid
CID 84680236
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
2-[2-[[(4-methoxy-4-oxobutyl)-methylamino]methyl]phenyl]acetic acid
CID 115463313
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[2-[[(3-amino-2-methyl-3-sulfanylidenepropyl)-methylamino]methyl]phenyl]acetic acid
CID 115462363
2-[(2-iodophenyl)methyl-methylamino]acetic acid
CID 66568489
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]naphthalen-2-amine
CID 61214265
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid (CID 115462619) is 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid is CN(Cc1ccccc1CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid?
The InChIKey is FIZVDKYQBFBUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-16(8-12(13,14)15)7-10-5-3-2-4-9(10)6-11(17)18/h2-5H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid?
2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid has a molecular weight of 261.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 115462619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).