(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid

C9H6F3NO3 — CID 87919626

IUPAC(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)/C(=N/O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H6F3NO3/c10-9(11,12)6-3-1-2-5(4-6)7(13-16)8(14)15/h1-4,16H,(H,14,15)/b13-7+
InChIKeyUFVAOSVIVZFWFN-NTUHNPAUSA-N
MW233.14 g/mol
LogP1.97
Rot. Bonds2

About (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid

(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 87919626) has the molecular formula C9H6F3NO3 and a molecular weight of 233.14 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID87919626
Molecular FormulaC9H6F3NO3
Molecular Weight233.14 g/mol
Exact Mass233.03
IUPAC Name(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)/C(=N/O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H6F3NO3/c10-9(11,12)6-3-1-2-5(4-6)7(13-16)8(14)15/h1-4,16H,(H,14,15)/b13-7+
InChIKeyUFVAOSVIVZFWFN-NTUHNPAUSA-N
XLogP1.97
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
bromo 3-(trifluoromethyl)benzoate
CID 121344380
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749
S-(trifluoromethyl) 3-(trifluoromethyl)benzenecarbothioate
CID 132535624
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
(2E,4Z)-5-bromo-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 87620055
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
N-hydroxy-2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 88704396

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 87919626) is (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid is O=C(O)/C(=N/O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is UFVAOSVIVZFWFN-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H6F3NO3/c10-9(11,12)6-3-1-2-5(4-6)7(13-16)8(14)15/h1-4,16H,(H,14,15)/b13-7+.
What are the key properties of (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid?
(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 233.14 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 87919626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).