4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine

C17H20FNOS — CID 141147864

IUPAC4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine
SMILESFc1ccc(Cc2sccc2CCN2CCOCC2)cc1
InChIInChI=1S/C17H20FNOS/c18-16-3-1-14(2-4-16)13-17-15(6-12-21-17)5-7-19-8-10-20-11-9-19/h1-4,6,12H,5,7-11,13H2
InChIKeyNKKZKCCXVXXDNZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.35
Rot. Bonds5

About 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine

4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine (PubChem CID 141147864) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine
PubChem CID141147864
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine
SMILESFc1ccc(Cc2sccc2CCN2CCOCC2)cc1
InChIInChI=1S/C17H20FNOS/c18-16-3-1-14(2-4-16)13-17-15(6-12-21-17)5-7-19-8-10-20-11-9-19/h1-4,6,12H,5,7-11,13H2
InChIKeyNKKZKCCXVXXDNZ-UHFFFAOYSA-N
XLogP3.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3E)-3-(thiophen-2-ylmethylidene)inden-1-yl]ethyl]morpholine
CID 118332431
1-(1-(2-Thienyl)cyclohexyl)morpholine
CID 210739
Morpholine, 4-(1-(2-thienyl)cyclohexyl)-, hydrochloride
CID 210738
Morpholinium, 4-methyl-4-(1-(2-thienyl)cyclohexyl)-, iodide
CID 210777
3-Buten-2-one, 1-morpholino-4-phenyl-4-(2-thienyl)-
CID 6433301
4-Morpholineethanol, alpha-(beta-(2-thienyl)styryl)-, hydrochloride
CID 6438242
2-[2-Hydroxyethyl-(2-phenyl-2-thiophen-2-ylethyl)amino]ethanol
CID 13822823
4-(1-Benzothien-3-ylmethyl)morpholine
CID 15945816
4-[[1-(Thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]morpholine
CID 46068285
4-[3-(4-{[(4-Fluorophenyl)sulfanyl]methyl}phenyl)propyl]morpholine
CID 10043198
4-[3-(2-{[(4-Fluorophenyl)sulfanyl]methyl}phenyl)propyl]morpholine
CID 10472760
4-[(3-fluoro-2H-thiochromen-4-yl)methyl]morpholine
CID 135044780

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine (CID 141147864) is 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine is Fc1ccc(Cc2sccc2CCN2CCOCC2)cc1.
What is the InChIKey of 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine?
The InChIKey is NKKZKCCXVXXDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c18-16-3-1-14(2-4-16)13-17-15(6-12-21-17)5-7-19-8-10-20-11-9-19/h1-4,6,12H,5,7-11,13H2.
What are the key properties of 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine?
4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine has a molecular weight of 305.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethyl]morpholine is sourced from PubChem (CID 141147864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).