(3Z,5Z,7Z)-3,4-difluorodiazocine

C6H4F2N2 — CID 87180763

IUPAC(3Z,5Z,7Z)-3,4-difluorodiazocine
SMILESFC1=C(F)/N=N\C=C/C=C\1
InChIInChI=1S/C6H4F2N2/c7-5-3-1-2-4-9-10-6(5)8/h1-4H/b2-1-,3-1-,4-2-,5-3+,6-5+,9-4-,10-6+,10-9-
InChIKeyVSDPTVGFXJPSDN-ARVIQYKNSA-N
MW142.11 g/mol
LogP2.63
Rot. Bonds

About (3Z,5Z,7Z)-3,4-difluorodiazocine

(3Z,5Z,7Z)-3,4-difluorodiazocine (PubChem CID 87180763) has the molecular formula C6H4F2N2 and a molecular weight of 142.11 g/mol. Its IUPAC name is (3Z,5Z,7Z)-3,4-difluorodiazocine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-3,4-difluorodiazocine
PubChem CID87180763
Molecular FormulaC6H4F2N2
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name(3Z,5Z,7Z)-3,4-difluorodiazocine
SMILESFC1=C(F)/N=N\C=C/C=C\1
InChIInChI=1S/C6H4F2N2/c7-5-3-1-2-4-9-10-6(5)8/h1-4H/b2-1-,3-1-,4-2-,5-3+,6-5+,9-4-,10-6+,10-9-
InChIKeyVSDPTVGFXJPSDN-ARVIQYKNSA-N
XLogP2.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-3,4-difluorodiazocine?
The IUPAC name of (3Z,5Z,7Z)-3,4-difluorodiazocine (CID 87180763) is (3Z,5Z,7Z)-3,4-difluorodiazocine.
What is the SMILES notation for (3Z,5Z,7Z)-3,4-difluorodiazocine?
The canonical SMILES for (3Z,5Z,7Z)-3,4-difluorodiazocine is FC1=C(F)/N=N\C=C/C=C\1.
What is the InChIKey of (3Z,5Z,7Z)-3,4-difluorodiazocine?
The InChIKey is VSDPTVGFXJPSDN-ARVIQYKNSA-N. The full InChI is InChI=1S/C6H4F2N2/c7-5-3-1-2-4-9-10-6(5)8/h1-4H/b2-1-,3-1-,4-2-,5-3+,6-5+,9-4-,10-6+,10-9-.
What are the key properties of (3Z,5Z,7Z)-3,4-difluorodiazocine?
(3Z,5Z,7Z)-3,4-difluorodiazocine has a molecular weight of 142.11 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-3,4-difluorodiazocine is sourced from PubChem (CID 87180763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).