2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid

C9H12F3NO3 — CID 77052943

IUPAC2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid
SMILESO=C(O)CON=C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)6-2-1-3-7(4-6)13-16-5-8(14)15/h6H,1-5H2,(H,14,15)
InChIKeyKUKZQRJKEVBXIB-UHFFFAOYSA-N
MW239.19 g/mol
LogP2.20
Rot. Bonds3

About 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid

2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid (PubChem CID 77052943) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid
PubChem CID77052943
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid
SMILESO=C(O)CON=C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)6-2-1-3-7(4-6)13-16-5-8(14)15/h6H,1-5H2,(H,14,15)
InChIKeyKUKZQRJKEVBXIB-UHFFFAOYSA-N
XLogP2.20
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(1-Cyano-5,5,5-trifluoropentyl)cyclohexylidene]amino]oxyacetic acid
CID 88864349
2-[[4-(Trifluoromethyl)cyclohexylidene]amino]oxyacetic acid
CID 64759783
2-[(4-Ethylcyclohexylidene)amino]oxyacetic acid
CID 63929078
2-[(4-Propylcyclohexylidene)amino]oxyacetic acid
CID 63929497
2-[(4-Methylcyclohexylidene)amino]oxyacetic acid
CID 63929929
2-[(E)-(2-methylcyclohexylidene)amino]oxyacetic acid
CID 63930140
2-[(3,5-Dimethylcyclohexylidene)amino]oxyacetic acid
CID 64734999
2-(1-Cyclohexylethylideneamino)oxyacetic acid
CID 77013260
2-[(3-Methylcyclohexylidene)amino]oxyacetic acid
CID 77013406
2-[(2-Methylcyclohexylidene)amino]oxyacetic acid
CID 77013429
2-[(2-Ethylcyclohexylidene)amino]oxyacetic acid
CID 77034429
2-[(3-Ethylcyclohexylidene)amino]oxyacetic acid
CID 77034538

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid (CID 77052943) is 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid is O=C(O)CON=C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid?
The InChIKey is KUKZQRJKEVBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c10-9(11,12)6-2-1-3-7(4-6)13-16-5-8(14)15/h6H,1-5H2,(H,14,15).
What are the key properties of 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid?
2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid has a molecular weight of 239.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)cyclohexylidene]amino]oxyacetic acid is sourced from PubChem (CID 77052943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).