3-fluorooxepane

C6H11FO — CID 118248166

IUPAC3-fluorooxepane
SMILESFC1CCCCOC1
InChIInChI=1S/C6H11FO/c7-6-3-1-2-4-8-5-6/h6H,1-5H2
InChIKeyFCJJHHHDGJWJMP-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.52
Rot. Bonds

About 3-fluorooxepane

3-fluorooxepane (PubChem CID 118248166) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluorooxepane.

Molecular Properties

Compound Name3-fluorooxepane
PubChem CID118248166
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-fluorooxepane
SMILESFC1CCCCOC1
InChIInChI=1S/C6H11FO/c7-6-3-1-2-4-8-5-6/h6H,1-5H2
InChIKeyFCJJHHHDGJWJMP-UHFFFAOYSA-N
XLogP1.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorooxepane?
The IUPAC name of 3-fluorooxepane (CID 118248166) is 3-fluorooxepane.
What is the SMILES notation for 3-fluorooxepane?
The canonical SMILES for 3-fluorooxepane is FC1CCCCOC1.
What is the InChIKey of 3-fluorooxepane?
The InChIKey is FCJJHHHDGJWJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c7-6-3-1-2-4-8-5-6/h6H,1-5H2.
What are the key properties of 3-fluorooxepane?
3-fluorooxepane has a molecular weight of 118.15 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorooxepane is sourced from PubChem (CID 118248166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).