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

C9H14FNO — CID 143431081

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

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

4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine (PubChem CID 143431081) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
PubChem CID143431081
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
SMILESC=C(/C(F)=C\C)N1CCOCC1
InChIInChI=1S/C9H14FNO/c1-3-9(10)8(2)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3/b9-3+
InChIKeyQCVCWUGPYMGUSK-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-but-2-en-2-yl]morpholine
CID 12467373
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(But-2-en-2-yl)morpholine
CID 53949343
4-[(2E,4E)-4-fluorohexa-2,4-dien-2-yl]-2,6-dimethylmorpholine
CID 89214988
4-(4-Fluoropenta-1,3-dien-3-yl)morpholine
CID 123587571
4-[(3E,5E)-3-fluoro-5-isocyanatohepta-1,3,5-trien-2-yl]morpholine
CID 126756406
4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine
CID 134530509
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
CID 142898847
(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
CID 143062168
(3Z,5Z)-N-(2-ethoxyethyl)-3-fluoro-N-methylhepta-1,3,5-trien-4-amine
CID 143588785
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine?
The IUPAC name of 4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine (CID 143431081) is 4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine.
What is the SMILES notation for 4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine?
The canonical SMILES for 4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine is C=C(/C(F)=C\C)N1CCOCC1.
What is the InChIKey of 4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine?
The InChIKey is QCVCWUGPYMGUSK-YCRREMRBSA-N. The full InChI is InChI=1S/C9H14FNO/c1-3-9(10)8(2)11-4-6-12-7-5-11/h3H,2,4-7H2,1H3/b9-3+.
What are the key properties of 4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine?
4-[(3E)-3-fluoropenta-1,3-dien-2-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)-3-fluoropenta-1,3-dien-2-yl]morpholine is sourced from PubChem (CID 143431081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).