4-fluoro-4-(oxan-4-yl)azepane

C11H20FNO — CID 103983836

IUPAC4-fluoro-4-(oxan-4-yl)azepane
SMILESFC1(C2CCOCC2)CCCNCC1
InChIInChI=1S/C11H20FNO/c12-11(4-1-6-13-7-5-11)10-2-8-14-9-3-10/h10,13H,1-9H2
InChIKeyUDLQJUUWACPXKZ-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.89
Rot. Bonds1

About 4-fluoro-4-(oxan-4-yl)azepane

4-fluoro-4-(oxan-4-yl)azepane (PubChem CID 103983836) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 4-fluoro-4-(oxan-4-yl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(oxan-4-yl)azepane
PubChem CID103983836
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name4-fluoro-4-(oxan-4-yl)azepane
SMILESFC1(C2CCOCC2)CCCNCC1
InChIInChI=1S/C11H20FNO/c12-11(4-1-6-13-7-5-11)10-2-8-14-9-3-10/h10,13H,1-9H2
InChIKeyUDLQJUUWACPXKZ-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(oxan-4-yl)azepane?
The IUPAC name of 4-fluoro-4-(oxan-4-yl)azepane (CID 103983836) is 4-fluoro-4-(oxan-4-yl)azepane.
What is the SMILES notation for 4-fluoro-4-(oxan-4-yl)azepane?
The canonical SMILES for 4-fluoro-4-(oxan-4-yl)azepane is FC1(C2CCOCC2)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(oxan-4-yl)azepane?
The InChIKey is UDLQJUUWACPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-11(4-1-6-13-7-5-11)10-2-8-14-9-3-10/h10,13H,1-9H2.
What are the key properties of 4-fluoro-4-(oxan-4-yl)azepane?
4-fluoro-4-(oxan-4-yl)azepane has a molecular weight of 201.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(oxan-4-yl)azepane is sourced from PubChem (CID 103983836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).