2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate

C10H7F3NO2- — CID 154015747

IUPAC2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate
SMILESO=C([O-])C/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-4-2-1-3-7(8)5-14-6-9(15)16/h1-5H,6H2,(H,15,16)/p-1/b14-5+
InChIKeyFAYJLHOZVBIPAT-LHHJGKSTSA-M
MW230.16 g/mol
LogP0.87
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate

2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate (PubChem CID 154015747) has the molecular formula C10H7F3NO2- and a molecular weight of 230.16 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate
PubChem CID154015747
Molecular FormulaC10H7F3NO2-
Molecular Weight230.16 g/mol
Exact Mass230.04
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate
SMILESO=C([O-])C/N=C/c1ccccc1C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)8-4-2-1-3-7(8)5-14-6-9(15)16/h1-5H,6H2,(H,15,16)/p-1/b14-5+
InChIKeyFAYJLHOZVBIPAT-LHHJGKSTSA-M
XLogP0.87
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate (CID 154015747) is 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate is O=C([O-])C/N=C/c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate?
The InChIKey is FAYJLHOZVBIPAT-LHHJGKSTSA-M. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)8-4-2-1-3-7(8)5-14-6-9(15)16/h1-5H,6H2,(H,15,16)/p-1/b14-5+.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate?
2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate has a molecular weight of 230.16 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetate is sourced from PubChem (CID 154015747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).