3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine

C13H16FNO — CID 104703995

IUPAC3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine
SMILESCc1ccc(/C=C/C2COCCN2)cc1F
InChIInChI=1S/C13H16FNO/c1-10-2-3-11(8-13(10)14)4-5-12-9-16-7-6-15-12/h2-5,8,12,15H,6-7,9H2,1H3/b5-4+
InChIKeyRNFNVPSIAQSAJU-SNAWJCMRSA-N
MW221.28 g/mol
LogP2.14
Rot. Bonds2

About 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine

3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine (PubChem CID 104703995) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine.

Molecular Properties

Compound Name3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine
PubChem CID104703995
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine
SMILESCc1ccc(/C=C/C2COCCN2)cc1F
InChIInChI=1S/C13H16FNO/c1-10-2-3-11(8-13(10)14)4-5-12-9-16-7-6-15-12/h2-5,8,12,15H,6-7,9H2,1H3/b5-4+
InChIKeyRNFNVPSIAQSAJU-SNAWJCMRSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine?
The IUPAC name of 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine (CID 104703995) is 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine.
What is the SMILES notation for 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine?
The canonical SMILES for 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine is Cc1ccc(/C=C/C2COCCN2)cc1F.
What is the InChIKey of 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine?
The InChIKey is RNFNVPSIAQSAJU-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H16FNO/c1-10-2-3-11(8-13(10)14)4-5-12-9-16-7-6-15-12/h2-5,8,12,15H,6-7,9H2,1H3/b5-4+.
What are the key properties of 3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine?
3-[(E)-2-(3-fluoro-4-methylphenyl)ethenyl]morpholine has a molecular weight of 221.28 g/mol, XLogP of 2.14, 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-fluoro-4-methylphenyl)ethenyl]morpholine is sourced from PubChem (CID 104703995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).