6,6-difluoro-1,4-oxazepane

C5H9F2NO — CID 71306217

IUPAC6,6-difluoro-1,4-oxazepane
SMILESFC1(F)CNCCOC1
InChIInChI=1S/C5H9F2NO/c6-5(7)3-8-1-2-9-4-5/h8H,1-4H2
InChIKeyYCIHVCYQAJLPIF-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.24
Rot. Bonds

About 6,6-difluoro-1,4-oxazepane

6,6-difluoro-1,4-oxazepane (PubChem CID 71306217) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 6,6-difluoro-1,4-oxazepane.

Molecular Properties

Compound Name6,6-difluoro-1,4-oxazepane
PubChem CID71306217
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name6,6-difluoro-1,4-oxazepane
SMILESFC1(F)CNCCOC1
InChIInChI=1S/C5H9F2NO/c6-5(7)3-8-1-2-9-4-5/h8H,1-4H2
InChIKeyYCIHVCYQAJLPIF-UHFFFAOYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,4-oxazepane?
The IUPAC name of 6,6-difluoro-1,4-oxazepane (CID 71306217) is 6,6-difluoro-1,4-oxazepane.
What is the SMILES notation for 6,6-difluoro-1,4-oxazepane?
The canonical SMILES for 6,6-difluoro-1,4-oxazepane is FC1(F)CNCCOC1.
What is the InChIKey of 6,6-difluoro-1,4-oxazepane?
The InChIKey is YCIHVCYQAJLPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)3-8-1-2-9-4-5/h8H,1-4H2.
What are the key properties of 6,6-difluoro-1,4-oxazepane?
6,6-difluoro-1,4-oxazepane has a molecular weight of 137.13 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,4-oxazepane is sourced from PubChem (CID 71306217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).