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

C10H8F3NO2 — CID 141348404

IUPAC2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-3-1-7(2-4-8)5-14-6-9(15)16/h1-5H,6H2,(H,15,16)/b14-5+
InChIKeyAILFCYIVVWZWDY-LHHJGKSTSA-N
MW231.17 g/mol
LogP2.21
Rot. Bonds3

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

2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid (PubChem CID 141348404) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid
PubChem CID141348404
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-3-1-7(2-4-8)5-14-6-9(15)16/h1-5H,6H2,(H,15,16)/b14-5+
InChIKeyAILFCYIVVWZWDY-LHHJGKSTSA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid (CID 141348404) is 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid is O=C(O)C/N=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid?
The InChIKey is AILFCYIVVWZWDY-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)8-3-1-7(2-4-8)5-14-6-9(15)16/h1-5H,6H2,(H,15,16)/b14-5+.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid?
2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid has a molecular weight of 231.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methylideneamino]acetic acid is sourced from PubChem (CID 141348404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).