3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride

C12H15ClFNO — CID 22248189

IUPAC3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride
SMILESCl.Fc1ccccc1/C=C/C1COCCN1
InChIInChI=1S/C12H14FNO.ClH/c13-12-4-2-1-3-10(12)5-6-11-9-15-8-7-14-11;/h1-6,11,14H,7-9H2;1H/b6-5+;
InChIKeyRPVVWRWUUCUJKL-IPZCTEOASA-N
MW243.71 g/mol
LogP2.25
Rot. Bonds2

About 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride

3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride (PubChem CID 22248189) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride
PubChem CID22248189
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride
SMILESCl.Fc1ccccc1/C=C/C1COCCN1
InChIInChI=1S/C12H14FNO.ClH/c13-12-4-2-1-3-10(12)5-6-11-9-15-8-7-14-11;/h1-6,11,14H,7-9H2;1H/b6-5+;
InChIKeyRPVVWRWUUCUJKL-IPZCTEOASA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride?
The IUPAC name of 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride (CID 22248189) is 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride.
What is the SMILES notation for 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride?
The canonical SMILES for 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride is Cl.Fc1ccccc1/C=C/C1COCCN1.
What is the InChIKey of 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride?
The InChIKey is RPVVWRWUUCUJKL-IPZCTEOASA-N. The full InChI is InChI=1S/C12H14FNO.ClH/c13-12-4-2-1-3-10(12)5-6-11-9-15-8-7-14-11;/h1-6,11,14H,7-9H2;1H/b6-5+;.
What are the key properties of 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride?
3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride has a molecular weight of 243.71 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-fluorophenyl)ethenyl]morpholine;hydrochloride is sourced from PubChem (CID 22248189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).