4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine

C13H22FNO — CID 166838533

IUPAC4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
SMILESC/C=C(C(\CCC)=C(/C)F)/N1CCOCC1
InChIInChI=1S/C13H22FNO/c1-4-6-12(11(3)14)13(5-2)15-7-9-16-10-8-15/h5H,4,6-10H2,1-3H3/b12-11+,13-5+
InChIKeyLTQSFXHEFSYEDB-KBDPURJKSA-N
MW227.32 g/mol
LogP3.27
Rot. Bonds4

About 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine

4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine (PubChem CID 166838533) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine.

Molecular Properties

Compound Name4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
PubChem CID166838533
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
SMILESC/C=C(C(\CCC)=C(/C)F)/N1CCOCC1
InChIInChI=1S/C13H22FNO/c1-4-6-12(11(3)14)13(5-2)15-7-9-16-10-8-15/h5H,4,6-10H2,1-3H3/b12-11+,13-5+
InChIKeyLTQSFXHEFSYEDB-KBDPURJKSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine?
The IUPAC name of 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine (CID 166838533) is 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine.
What is the SMILES notation for 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine?
The canonical SMILES for 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine is C/C=C(C(\CCC)=C(/C)F)/N1CCOCC1.
What is the InChIKey of 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine?
The InChIKey is LTQSFXHEFSYEDB-KBDPURJKSA-N. The full InChI is InChI=1S/C13H22FNO/c1-4-6-12(11(3)14)13(5-2)15-7-9-16-10-8-15/h5H,4,6-10H2,1-3H3/b12-11+,13-5+.
What are the key properties of 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine?
4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine has a molecular weight of 227.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine is sourced from PubChem (CID 166838533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).