2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile

C7H11F2N3 — CID 118943825

IUPAC2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile
SMILESN#CC1C(F)CC(NN)CC1F
InChIInChI=1S/C7H11F2N3/c8-6-1-4(12-11)2-7(9)5(6)3-10/h4-7,12H,1-2,11H2
InChIKeyHSIFUMPMPJFZMX-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.43
Rot. Bonds1

About 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile

2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile (PubChem CID 118943825) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile
PubChem CID118943825
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile
SMILESN#CC1C(F)CC(NN)CC1F
InChIInChI=1S/C7H11F2N3/c8-6-1-4(12-11)2-7(9)5(6)3-10/h4-7,12H,1-2,11H2
InChIKeyHSIFUMPMPJFZMX-UHFFFAOYSA-N
XLogP0.43
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
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 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile?
The IUPAC name of 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile (CID 118943825) is 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile?
The canonical SMILES for 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile is N#CC1C(F)CC(NN)CC1F.
What is the InChIKey of 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile?
The InChIKey is HSIFUMPMPJFZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c8-6-1-4(12-11)2-7(9)5(6)3-10/h4-7,12H,1-2,11H2.
What are the key properties of 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile?
2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile has a molecular weight of 175.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-hydrazinylcyclohexane-1-carbonitrile is sourced from PubChem (CID 118943825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).