(2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid

C10H8F3NO3 — CID 165486391

IUPAC(2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)/C(Cc1ccc(C(F)(F)F)cc1)=N\O
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)7-3-1-6(2-4-7)5-8(14-17)9(15)16/h1-4,17H,5H2,(H,15,16)/b14-8-
InChIKeyBHSCSLLOAAGIAU-ZSOIEALJSA-N
MW247.17 g/mol
LogP2.16
Rot. Bonds3

About (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid

(2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 165486391) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid
PubChem CID165486391
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Name(2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)/C(Cc1ccc(C(F)(F)F)cc1)=N\O
InChIInChI=1S/C10H8F3NO3/c11-10(12,13)7-3-1-6(2-4-7)5-8(14-17)9(15)16/h1-4,17H,5H2,(H,15,16)/b14-8-
InChIKeyBHSCSLLOAAGIAU-ZSOIEALJSA-N
XLogP2.16
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.16
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

3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
(Z)-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid
CID 115007362
1-methylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 62692540
(E)-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-one
CID 103453232
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 76935917
(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 80751533
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116588598

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid (CID 165486391) is (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid is O=C(O)/C(Cc1ccc(C(F)(F)F)cc1)=N\O.
What is the InChIKey of (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is BHSCSLLOAAGIAU-ZSOIEALJSA-N. The full InChI is InChI=1S/C10H8F3NO3/c11-10(12,13)7-3-1-6(2-4-7)5-8(14-17)9(15)16/h1-4,17H,5H2,(H,15,16)/b14-8-.
What are the key properties of (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid?
(2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 247.17 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-3-[4-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 165486391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).