2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid

C10H10F3NO2 — CID 16658015

IUPAC2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)8-3-1-7(2-4-8)5-14-6-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyPWHUOSWTEIHEEV-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.88
Rot. Bonds4

About 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid

2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid (PubChem CID 16658015) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid
PubChem CID16658015
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO2/c11-10(12,13)8-3-1-7(2-4-8)5-14-6-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyPWHUOSWTEIHEEV-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid (CID 16658015) is 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid is O=C(O)CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid?
The InChIKey is PWHUOSWTEIHEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c11-10(12,13)8-3-1-7(2-4-8)5-14-6-9(15)16/h1-4,14H,5-6H2,(H,15,16).
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid?
2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid has a molecular weight of 233.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methylamino]acetic acid is sourced from PubChem (CID 16658015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).