methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid

C14H20F3NO2 — CID 143181593

IUPACmethane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid
SMILESC.CCC.O=C(O)C/N=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8F3NO2.C3H8.CH4/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7;1-3-2;/h1-5H,6H2,(H,15,16);3H2,1-2H3;1H4/b14-9+;;
InChIKeyWAKAHYIYKPAPKA-CAJRCRMVSA-N
MW291.31 g/mol
LogP4.18
Rot. Bonds3

About methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid

methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid (PubChem CID 143181593) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid.

Molecular Properties

Compound Namemethane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid
PubChem CID143181593
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Namemethane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid
SMILESC.CCC.O=C(O)C/N=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H8F3NO2.C3H8.CH4/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7;1-3-2;/h1-5H,6H2,(H,15,16);3H2,1-2H3;1H4/b14-9+;;
InChIKeyWAKAHYIYKPAPKA-CAJRCRMVSA-N
XLogP4.18
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.18
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 methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid?
The IUPAC name of methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid (CID 143181593) is methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid.
What is the SMILES notation for methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid?
The canonical SMILES for methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid is C.CCC.O=C(O)C/N=C(\c1ccccc1)C(F)(F)F.
What is the InChIKey of methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid?
The InChIKey is WAKAHYIYKPAPKA-CAJRCRMVSA-N. The full InChI is InChI=1S/C10H8F3NO2.C3H8.CH4/c11-10(12,13)9(14-6-8(15)16)7-4-2-1-3-5-7;1-3-2;/h1-5H,6H2,(H,15,16);3H2,1-2H3;1H4/b14-9+;;.
What are the key properties of methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid?
methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propane;2-[(2,2,2-trifluoro-1-phenylethylidene)amino]acetic acid is sourced from PubChem (CID 143181593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).