3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine

C11H16F3NO — CID 166776101

IUPAC3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine
SMILESC/C=C\C(=C/CC(F)(F)F)C1COCCN1
InChIInChI=1S/C11H16F3NO/c1-2-3-9(4-5-11(12,13)14)10-8-16-7-6-15-10/h2-4,10,15H,5-8H2,1H3/b3-2-,9-4+
InChIKeyFUQUHZWTMJHQGP-SEEXIRIMSA-N
MW235.25 g/mol
LogP2.43
Rot. Bonds3

About 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine

3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine (PubChem CID 166776101) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine.

Molecular Properties

Compound Name3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine
PubChem CID166776101
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine
SMILESC/C=C\C(=C/CC(F)(F)F)C1COCCN1
InChIInChI=1S/C11H16F3NO/c1-2-3-9(4-5-11(12,13)14)10-8-16-7-6-15-10/h2-4,10,15H,5-8H2,1H3/b3-2-,9-4+
InChIKeyFUQUHZWTMJHQGP-SEEXIRIMSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
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 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine?
The IUPAC name of 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine (CID 166776101) is 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine.
What is the SMILES notation for 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine?
The canonical SMILES for 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine is C/C=C\C(=C/CC(F)(F)F)C1COCCN1.
What is the InChIKey of 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine?
The InChIKey is FUQUHZWTMJHQGP-SEEXIRIMSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-3-9(4-5-11(12,13)14)10-8-16-7-6-15-10/h2-4,10,15H,5-8H2,1H3/b3-2-,9-4+.
What are the key properties of 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine?
3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine has a molecular weight of 235.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine is sourced from PubChem (CID 166776101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).