3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid

C8H8F4N2O2 — CID 118976457

IUPAC3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid
SMILESNNC1=CCC(F)(C(F)(F)F)C=C1C(=O)O
InChIInChI=1S/C8H8F4N2O2/c9-7(8(10,11)12)2-1-5(14-13)4(3-7)6(15)16/h1,3,14H,2,13H2,(H,15,16)
InChIKeyZDKHGVKGZWMFBV-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.02
Rot. Bonds2

About 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid

3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 118976457) has the molecular formula C8H8F4N2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid
PubChem CID118976457
Molecular FormulaC8H8F4N2O2
Molecular Weight240.16 g/mol
Exact Mass240.05
IUPAC Name3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid
SMILESNNC1=CCC(F)(C(F)(F)F)C=C1C(=O)O
InChIInChI=1S/C8H8F4N2O2/c9-7(8(10,11)12)2-1-5(14-13)4(3-7)6(15)16/h1,3,14H,2,13H2,(H,15,16)
InChIKeyZDKHGVKGZWMFBV-UHFFFAOYSA-N
XLogP1.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid (CID 118976457) is 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid is NNC1=CCC(F)(C(F)(F)F)C=C1C(=O)O.
What is the InChIKey of 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is ZDKHGVKGZWMFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O2/c9-7(8(10,11)12)2-1-5(14-13)4(3-7)6(15)16/h1,3,14H,2,13H2,(H,15,16).
What are the key properties of 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid?
3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 240.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 118976457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).