4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine

C12H21FN2O — CID 135169616

IUPAC4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine
SMILESF/C=C(\N1CCCCCC1)N1CCOCC1
InChIInChI=1S/C12H21FN2O/c13-11-12(15-7-9-16-10-8-15)14-5-3-1-2-4-6-14/h11H,1-10H2/b12-11+
InChIKeyKZPSPANCKUBHCF-VAWYXSNFSA-N
MW228.31 g/mol
LogP1.96
Rot. Bonds2

About 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine

4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine (PubChem CID 135169616) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine
PubChem CID135169616
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine
SMILESF/C=C(\N1CCCCCC1)N1CCOCC1
InChIInChI=1S/C12H21FN2O/c13-11-12(15-7-9-16-10-8-15)14-5-3-1-2-4-6-14/h11H,1-10H2/b12-11+
InChIKeyKZPSPANCKUBHCF-VAWYXSNFSA-N
XLogP1.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine?
The IUPAC name of 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine (CID 135169616) is 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine.
What is the SMILES notation for 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine?
The canonical SMILES for 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine is F/C=C(\N1CCCCCC1)N1CCOCC1.
What is the InChIKey of 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine?
The InChIKey is KZPSPANCKUBHCF-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H21FN2O/c13-11-12(15-7-9-16-10-8-15)14-5-3-1-2-4-6-14/h11H,1-10H2/b12-11+.
What are the key properties of 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine?
4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine has a molecular weight of 228.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine is sourced from PubChem (CID 135169616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).