4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine

C9H14FNO — CID 135170053

IUPAC4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
SMILESC=C(F)/C(=C\C)N1CCOCC1
InChIInChI=1S/C9H14FNO/c1-3-9(8(2)10)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3/b9-3+
InChIKeyWTMDMHYHKMCNKV-YCRREMRBSA-N
MW171.22 g/mol
LogP1.71
Rot. Bonds2

About 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine

4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine (PubChem CID 135170053) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
PubChem CID135170053
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
SMILESC=C(F)/C(=C\C)N1CCOCC1
InChIInChI=1S/C9H14FNO/c1-3-9(8(2)10)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3/b9-3+
InChIKeyWTMDMHYHKMCNKV-YCRREMRBSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.71
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-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine?
The IUPAC name of 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine (CID 135170053) is 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine.
What is the SMILES notation for 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine?
The canonical SMILES for 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine is C=C(F)/C(=C\C)N1CCOCC1.
What is the InChIKey of 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine?
The InChIKey is WTMDMHYHKMCNKV-YCRREMRBSA-N. The full InChI is InChI=1S/C9H14FNO/c1-3-9(8(2)10)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3/b9-3+.
What are the key properties of 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine?
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine has a molecular weight of 171.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine is sourced from PubChem (CID 135170053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).