4-[4,4-bis(4-fluorophenyl)butyl]morpholine

C20H23F2NO — CID 53325241

IUPAC4-[4,4-bis(4-fluorophenyl)butyl]morpholine
SMILESFc1ccc(C(CCCN2CCOCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23F2NO/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-11-23-12-14-24-15-13-23/h3-10,20H,1-2,11-15H2
InChIKeyFMNPBGLVZVBAED-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.21
Rot. Bonds6

About 4-[4,4-bis(4-fluorophenyl)butyl]morpholine

4-[4,4-bis(4-fluorophenyl)butyl]morpholine (PubChem CID 53325241) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-[4,4-bis(4-fluorophenyl)butyl]morpholine.

Molecular Properties

Compound Name4-[4,4-bis(4-fluorophenyl)butyl]morpholine
PubChem CID53325241
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC Name4-[4,4-bis(4-fluorophenyl)butyl]morpholine
SMILESFc1ccc(C(CCCN2CCOCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23F2NO/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-11-23-12-14-24-15-13-23/h3-10,20H,1-2,11-15H2
InChIKeyFMNPBGLVZVBAED-UHFFFAOYSA-N
XLogP4.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Trifenmorph
CID 14993
4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
Diphemethoxidine
CID 65607
Morpholine, 4-(2-phenylethyl)-
CID 411956
4-Benzyl-1-[3-phenylpropoxy)propyl]piperidine
CID 44563685
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
4-(4-Fluoro-benzyl)-1-(4-phenyl-butyl)-piperidine
CID 10404071
4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
4-[2-[(3E)-3-[(2-phenylphenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 72950876
4-[2-[(3E)-3-[(2-iodophenyl)methylidene]inden-1-yl]ethyl]morpholine
CID 118332421

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-bis(4-fluorophenyl)butyl]morpholine?
The IUPAC name of 4-[4,4-bis(4-fluorophenyl)butyl]morpholine (CID 53325241) is 4-[4,4-bis(4-fluorophenyl)butyl]morpholine.
What is the SMILES notation for 4-[4,4-bis(4-fluorophenyl)butyl]morpholine?
The canonical SMILES for 4-[4,4-bis(4-fluorophenyl)butyl]morpholine is Fc1ccc(C(CCCN2CCOCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4,4-bis(4-fluorophenyl)butyl]morpholine?
The InChIKey is FMNPBGLVZVBAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-11-23-12-14-24-15-13-23/h3-10,20H,1-2,11-15H2.
What are the key properties of 4-[4,4-bis(4-fluorophenyl)butyl]morpholine?
4-[4,4-bis(4-fluorophenyl)butyl]morpholine has a molecular weight of 331.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-bis(4-fluorophenyl)butyl]morpholine is sourced from PubChem (CID 53325241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).