3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine

C13H20FNO2 — CID 176701266

IUPAC3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine
SMILESC=C(F)/C=C(/OCC1COCCN1)C(=C)CC
InChIInChI=1S/C13H20FNO2/c1-4-10(2)13(7-11(3)14)17-9-12-8-16-6-5-15-12/h7,12,15H,2-6,8-9H2,1H3/b13-7+
InChIKeyHVKFMQXDTMJJTQ-NTUHNPAUSA-N
MW241.31 g/mol
LogP2.32
Rot. Bonds6

About 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine

3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine (PubChem CID 176701266) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine
PubChem CID176701266
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine
SMILESC=C(F)/C=C(/OCC1COCCN1)C(=C)CC
InChIInChI=1S/C13H20FNO2/c1-4-10(2)13(7-11(3)14)17-9-12-8-16-6-5-15-12/h7,12,15H,2-6,8-9H2,1H3/b13-7+
InChIKeyHVKFMQXDTMJJTQ-NTUHNPAUSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]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

1-[2-[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperazine
CID 176700608
1-[2-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyethyl]piperazine
CID 176701022
(3S)-3-[(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-yl]morpholine
CID 147067410
3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine;molecular hydrogen
CID 176701265
(3S)-3-[(3E)-5-methoxyhexa-1,3,5-trien-3-yl]morpholine
CID 178095201
(Z)-4-(3,4-dihydro-2H-pyran-6-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 102648238

Frequently Asked Questions

What is the IUPAC name of 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine?
The IUPAC name of 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine (CID 176701266) is 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine.
What is the SMILES notation for 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine?
The canonical SMILES for 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine is C=C(F)/C=C(/OCC1COCCN1)C(=C)CC.
What is the InChIKey of 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine?
The InChIKey is HVKFMQXDTMJJTQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-10(2)13(7-11(3)14)17-9-12-8-16-6-5-15-12/h7,12,15H,2-6,8-9H2,1H3/b13-7+.
What are the key properties of 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine?
3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine has a molecular weight of 241.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E)-2-fluoro-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]morpholine is sourced from PubChem (CID 176701266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).