3-(trifluoromethyl)-1,4-oxazepane

C6H10F3NO — CID 82597850

IUPAC3-(trifluoromethyl)-1,4-oxazepane
SMILESFC(F)(F)C1COCCCN1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-4-11-3-1-2-10-5/h5,10H,1-4H2
InChIKeyGLXDDGUVOANYKZ-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.93
Rot. Bonds

About 3-(trifluoromethyl)-1,4-oxazepane

3-(trifluoromethyl)-1,4-oxazepane (PubChem CID 82597850) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4-oxazepane.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4-oxazepane
PubChem CID82597850
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-(trifluoromethyl)-1,4-oxazepane
SMILESFC(F)(F)C1COCCCN1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-4-11-3-1-2-10-5/h5,10H,1-4H2
InChIKeyGLXDDGUVOANYKZ-UHFFFAOYSA-N
XLogP0.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4-oxazepane?
The IUPAC name of 3-(trifluoromethyl)-1,4-oxazepane (CID 82597850) is 3-(trifluoromethyl)-1,4-oxazepane.
What is the SMILES notation for 3-(trifluoromethyl)-1,4-oxazepane?
The canonical SMILES for 3-(trifluoromethyl)-1,4-oxazepane is FC(F)(F)C1COCCCN1.
What is the InChIKey of 3-(trifluoromethyl)-1,4-oxazepane?
The InChIKey is GLXDDGUVOANYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5-4-11-3-1-2-10-5/h5,10H,1-4H2.
What are the key properties of 3-(trifluoromethyl)-1,4-oxazepane?
3-(trifluoromethyl)-1,4-oxazepane has a molecular weight of 169.15 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4-oxazepane is sourced from PubChem (CID 82597850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).