3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine

C13H16FNO — CID 116685788

IUPAC3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine
SMILESCC1COCC(/C=C/c2cccc(F)c2)N1
InChIInChI=1S/C13H16FNO/c1-10-8-16-9-13(15-10)6-5-11-3-2-4-12(14)7-11/h2-7,10,13,15H,8-9H2,1H3/b6-5+
InChIKeyDGSMUHNVGWTWTL-AATRIKPKSA-N
MW221.28 g/mol
LogP2.22
Rot. Bonds2

About 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine

3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine (PubChem CID 116685788) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine.

Molecular Properties

Compound Name3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine
PubChem CID116685788
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine
SMILESCC1COCC(/C=C/c2cccc(F)c2)N1
InChIInChI=1S/C13H16FNO/c1-10-8-16-9-13(15-10)6-5-11-3-2-4-12(14)7-11/h2-7,10,13,15H,8-9H2,1H3/b6-5+
InChIKeyDGSMUHNVGWTWTL-AATRIKPKSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine?
The IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine (CID 116685788) is 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine.
What is the SMILES notation for 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine?
The canonical SMILES for 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine is CC1COCC(/C=C/c2cccc(F)c2)N1.
What is the InChIKey of 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine?
The InChIKey is DGSMUHNVGWTWTL-AATRIKPKSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10-8-16-9-13(15-10)6-5-11-3-2-4-12(14)7-11/h2-7,10,13,15H,8-9H2,1H3/b6-5+.
What are the key properties of 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine?
3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine has a molecular weight of 221.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-fluorophenyl)ethenyl]-5-methylmorpholine is sourced from PubChem (CID 116685788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).