4-ethyl-4-fluoroazepane

C8H16FN — CID 103983790

IUPAC4-ethyl-4-fluoroazepane
SMILESCCC1(F)CCCNCC1
InChIInChI=1S/C8H16FN/c1-2-8(9)4-3-6-10-7-5-8/h10H,2-7H2,1H3
InChIKeyJORBYTIUABWNPX-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.88
Rot. Bonds1

About 4-ethyl-4-fluoroazepane

4-ethyl-4-fluoroazepane (PubChem CID 103983790) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 4-ethyl-4-fluoroazepane.

Molecular Properties

Compound Name4-ethyl-4-fluoroazepane
PubChem CID103983790
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name4-ethyl-4-fluoroazepane
SMILESCCC1(F)CCCNCC1
InChIInChI=1S/C8H16FN/c1-2-8(9)4-3-6-10-7-5-8/h10H,2-7H2,1H3
InChIKeyJORBYTIUABWNPX-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-fluoroazepane?
The IUPAC name of 4-ethyl-4-fluoroazepane (CID 103983790) is 4-ethyl-4-fluoroazepane.
What is the SMILES notation for 4-ethyl-4-fluoroazepane?
The canonical SMILES for 4-ethyl-4-fluoroazepane is CCC1(F)CCCNCC1.
What is the InChIKey of 4-ethyl-4-fluoroazepane?
The InChIKey is JORBYTIUABWNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-8(9)4-3-6-10-7-5-8/h10H,2-7H2,1H3.
What are the key properties of 4-ethyl-4-fluoroazepane?
4-ethyl-4-fluoroazepane has a molecular weight of 145.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-fluoroazepane is sourced from PubChem (CID 103983790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).