4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine

C11H16FNO — CID 145213590

IUPAC4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
SMILESC=C(C)/C=C(\C(=C)F)N1CCOCC1
InChIInChI=1S/C11H16FNO/c1-9(2)8-11(10(3)12)13-4-6-14-7-5-13/h8H,1,3-7H2,2H3/b11-8+
InChIKeyPMICXGDOOXWBIH-DHZHZOJOSA-N
MW197.25 g/mol
LogP2.26
Rot. Bonds3

About 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine

4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine (PubChem CID 145213590) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
PubChem CID145213590
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
SMILESC=C(C)/C=C(\C(=C)F)N1CCOCC1
InChIInChI=1S/C11H16FNO/c1-9(2)8-11(10(3)12)13-4-6-14-7-5-13/h8H,1,3-7H2,2H3/b11-8+
InChIKeyPMICXGDOOXWBIH-DHZHZOJOSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.26
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-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine?
The IUPAC name of 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine (CID 145213590) is 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine.
What is the SMILES notation for 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine?
The canonical SMILES for 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine is C=C(C)/C=C(\C(=C)F)N1CCOCC1.
What is the InChIKey of 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine?
The InChIKey is PMICXGDOOXWBIH-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9(2)8-11(10(3)12)13-4-6-14-7-5-13/h8H,1,3-7H2,2H3/b11-8+.
What are the key properties of 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine?
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine has a molecular weight of 197.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine is sourced from PubChem (CID 145213590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).