2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

C14H18F3NO3 — CID 79263710

IUPAC2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOc1ccc(C(C)N(CC(=O)O)CC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-3-21-12-6-4-11(5-7-12)10(2)18(8-13(19)20)9-14(15,16)17/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyIWACEZMURJDRSI-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.10
Rot. Bonds7

About 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263710) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263710
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOc1ccc(C(C)N(CC(=O)O)CC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO3/c1-3-21-12-6-4-11(5-7-12)10(2)18(8-13(19)20)9-14(15,16)17/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyIWACEZMURJDRSI-UHFFFAOYSA-N
XLogP3.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethoxyphenyl)ethyl-(2-methylpropyl)amino]acetic acid
CID 65063803
2-[1-(4-methylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266261
2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265960
2-[1-(2-hydroxy-5-methoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264175
2-[1-(2,5-dihydroxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266512
2-[1-(2,4-dimethylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266650
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65063760
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
3-(4-ethoxyphenoxy)-4,4,4-trifluorobutanoic acid
CID 63073593
2-[1-(4-hydroxyphenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115496221

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263710) is 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is CCOc1ccc(C(C)N(CC(=O)O)CC(F)(F)F)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IWACEZMURJDRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-3-21-12-6-4-11(5-7-12)10(2)18(8-13(19)20)9-14(15,16)17/h4-7,10H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 305.30 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).