4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine

C12H18FNO — CID 166687859

IUPAC4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
SMILESC=C(C)/C=C\C(=C(/C)F)N1CCOCC1
InChIInChI=1S/C12H18FNO/c1-10(2)4-5-12(11(3)13)14-6-8-15-9-7-14/h4-5H,1,6-9H2,2-3H3/b5-4-,12-11-
InChIKeyXYUJCKHNDVHXPC-NHTRZOJKSA-N
MW211.28 g/mol
LogP2.65
Rot. Bonds3

About 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine

4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine (PubChem CID 166687859) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
PubChem CID166687859
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
SMILESC=C(C)/C=C\C(=C(/C)F)N1CCOCC1
InChIInChI=1S/C12H18FNO/c1-10(2)4-5-12(11(3)13)14-6-8-15-9-7-14/h4-5H,1,6-9H2,2-3H3/b5-4-,12-11-
InChIKeyXYUJCKHNDVHXPC-NHTRZOJKSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.65
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-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine?
The IUPAC name of 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine (CID 166687859) is 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine.
What is the SMILES notation for 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine?
The canonical SMILES for 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine is C=C(C)/C=C\C(=C(/C)F)N1CCOCC1.
What is the InChIKey of 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine?
The InChIKey is XYUJCKHNDVHXPC-NHTRZOJKSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(2)4-5-12(11(3)13)14-6-8-15-9-7-14/h4-5H,1,6-9H2,2-3H3/b5-4-,12-11-.
What are the key properties of 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine?
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine has a molecular weight of 211.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine is sourced from PubChem (CID 166687859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).