(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene

C12H10F2N2 — CID 57348923

IUPAC(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene
SMILESFC1(F)C=CC(/N=N/c2ccccc2)=CC1
InChIInChI=1S/C12H10F2N2/c13-12(14)8-6-11(7-9-12)16-15-10-4-2-1-3-5-10/h1-8H,9H2/b16-15+
InChIKeyAMGAEPWQOICGKQ-FOCLMDBBSA-N
MW220.22 g/mol
LogP4.25
Rot. Bonds2

About (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene

(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene (PubChem CID 57348923) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene.

Molecular Properties

Compound Name(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene
PubChem CID57348923
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene
SMILESFC1(F)C=CC(/N=N/c2ccccc2)=CC1
InChIInChI=1S/C12H10F2N2/c13-12(14)8-6-11(7-9-12)16-15-10-4-2-1-3-5-10/h1-8H,9H2/b16-15+
InChIKeyAMGAEPWQOICGKQ-FOCLMDBBSA-N
XLogP4.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene?
The IUPAC name of (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene (CID 57348923) is (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene.
What is the SMILES notation for (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene?
The canonical SMILES for (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene is FC1(F)C=CC(/N=N/c2ccccc2)=CC1.
What is the InChIKey of (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene?
The InChIKey is AMGAEPWQOICGKQ-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H10F2N2/c13-12(14)8-6-11(7-9-12)16-15-10-4-2-1-3-5-10/h1-8H,9H2/b16-15+.
What are the key properties of (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene?
(4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene has a molecular weight of 220.22 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexa-1,5-dien-1-yl)-phenyldiazene is sourced from PubChem (CID 57348923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).