3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid

C8H10F2N2O2 — CID 141492720

IUPAC3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid
SMILESNNC1=CCC(F)(CF)C=C1C(=O)O
InChIInChI=1S/C8H10F2N2O2/c9-4-8(10)2-1-6(12-11)5(3-8)7(13)14/h1,3,12H,2,4,11H2,(H,13,14)
InChIKeyNETXNCNAVMIWJN-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.43
Rot. Bonds3

About 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid

3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 141492720) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid
PubChem CID141492720
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid
SMILESNNC1=CCC(F)(CF)C=C1C(=O)O
InChIInChI=1S/C8H10F2N2O2/c9-4-8(10)2-1-6(12-11)5(3-8)7(13)14/h1,3,12H,2,4,11H2,(H,13,14)
InChIKeyNETXNCNAVMIWJN-UHFFFAOYSA-N
XLogP0.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.43
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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Related Compounds

6-Amino-4-fluoro-3-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 90326916
3-Fluoro-6-hydrazinyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxylic acid
CID 118976457
6-Amino-3-fluorocyclohexa-1,5-diene-1-carboxylic acid
CID 139418711
6-Amino-3-fluoro-4-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 139418715
ethane;(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
CID 143594011
(2E)-2-[(E)-1-hydrazinylprop-1-enyl]penta-2,4-dienoic acid
CID 143594012

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid (CID 141492720) is 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid is NNC1=CCC(F)(CF)C=C1C(=O)O.
What is the InChIKey of 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is NETXNCNAVMIWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c9-4-8(10)2-1-6(12-11)5(3-8)7(13)14/h1,3,12H,2,4,11H2,(H,13,14).
What are the key properties of 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid?
3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 204.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(fluoromethyl)-6-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 141492720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).