2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3NO3 — CID 79266796

IUPAC2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccoc1)CC(F)(F)F
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)6-13(4-8(14)15)3-7-1-2-16-5-7/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyCAYFEMVVUALLNG-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.73
Rot. Bonds5

About 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266796) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266796
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccoc1)CC(F)(F)F
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)6-13(4-8(14)15)3-7-1-2-16-5-7/h1-2,5H,3-4,6H2,(H,14,15)
InChIKeyCAYFEMVVUALLNG-UHFFFAOYSA-N
XLogP1.73
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]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-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266500
2-[1-benzofuran-7-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 166268250
2-[(3-cyano-4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107882941
2-[(3-propan-2-yloxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264180
2-[(3-propoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263713
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 61426806
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957906
2-[(1,3-dimethylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 83095175
2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 103733157
2-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]butanoic acid
CID 62271233
2-[benzyl(2,2-dimethylpropyl)amino]acetic acid
CID 119135307

Frequently Asked Questions

What is the IUPAC name of 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266796) is 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(Cc1ccoc1)CC(F)(F)F.
What is the InChIKey of 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CAYFEMVVUALLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)6-13(4-8(14)15)3-7-1-2-16-5-7/h1-2,5H,3-4,6H2,(H,14,15).
What are the key properties of 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 237.18 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).