2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H12F3NO3 — CID 79266500

IUPAC2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(O)cc1)CC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)7-15(6-10(17)18)5-8-1-3-9(16)4-2-8/h1-4,16H,5-7H2,(H,17,18)
InChIKeyBZTGSGXQKYPTBB-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.84
Rot. Bonds5

About 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266500) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266500
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(O)cc1)CC(F)(F)F
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)7-15(6-10(17)18)5-8-1-3-9(16)4-2-8/h1-4,16H,5-7H2,(H,17,18)
InChIKeyBZTGSGXQKYPTBB-UHFFFAOYSA-N
XLogP1.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(hydroxymethyl)phenyl]methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113365882
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266796
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
2-[(3-cyano-4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107882941
4-[[bis(carboxymethyl)amino]methyl]benzoic acid
CID 129396565
2-[1-(4-hydroxyphenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115496221
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[(3-propan-2-yloxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264180
2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
CID 119135307
2-[2-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257795
2-[(3-propoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263713

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266500) is 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(Cc1ccc(O)cc1)CC(F)(F)F.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BZTGSGXQKYPTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)7-15(6-10(17)18)5-8-1-3-9(16)4-2-8/h1-4,16H,5-7H2,(H,17,18).
What are the key properties of 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 263.21 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).