4,4-difluorodiazepane

C5H10F2N2 — CID 176727896

IUPAC4,4-difluorodiazepane
SMILESFC1(F)CCCNNC1
InChIInChI=1S/C5H10F2N2/c6-5(7)2-1-3-8-9-4-5/h8-9H,1-4H2
InChIKeyZVNWBGVHUKAIGI-UHFFFAOYSA-N
MW136.14 g/mol
LogP0.51
Rot. Bonds

About 4,4-difluorodiazepane

4,4-difluorodiazepane (PubChem CID 176727896) has the molecular formula C5H10F2N2 and a molecular weight of 136.14 g/mol. Its IUPAC name is 4,4-difluorodiazepane.

Molecular Properties

Compound Name4,4-difluorodiazepane
PubChem CID176727896
Molecular FormulaC5H10F2N2
Molecular Weight136.14 g/mol
Exact Mass136.08
IUPAC Name4,4-difluorodiazepane
SMILESFC1(F)CCCNNC1
InChIInChI=1S/C5H10F2N2/c6-5(7)2-1-3-8-9-4-5/h8-9H,1-4H2
InChIKeyZVNWBGVHUKAIGI-UHFFFAOYSA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorodiazepane?
The IUPAC name of 4,4-difluorodiazepane (CID 176727896) is 4,4-difluorodiazepane.
What is the SMILES notation for 4,4-difluorodiazepane?
The canonical SMILES for 4,4-difluorodiazepane is FC1(F)CCCNNC1.
What is the InChIKey of 4,4-difluorodiazepane?
The InChIKey is ZVNWBGVHUKAIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c6-5(7)2-1-3-8-9-4-5/h8-9H,1-4H2.
What are the key properties of 4,4-difluorodiazepane?
4,4-difluorodiazepane has a molecular weight of 136.14 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorodiazepane is sourced from PubChem (CID 176727896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).