4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine

C19H21F3N2O — CID 170870105

IUPAC4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
SMILESFC(F)(F)c1ccnc(-c2ccc(CCCN3CCOCC3)cc2)c1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-7-8-23-18(14-17)16-5-3-15(4-6-16)2-1-9-24-10-12-25-13-11-24/h3-8,14H,1-2,9-13H2
InChIKeyQLFIRJQDEJYJOC-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.03
Rot. Bonds5

About 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine

4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine (PubChem CID 170870105) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
PubChem CID170870105
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
SMILESFC(F)(F)c1ccnc(-c2ccc(CCCN3CCOCC3)cc2)c1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-7-8-23-18(14-17)16-5-3-15(4-6-16)2-1-9-24-10-12-25-13-11-24/h3-8,14H,1-2,9-13H2
InChIKeyQLFIRJQDEJYJOC-UHFFFAOYSA-N
XLogP4.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-quinoxalin-6-ylpropyl)morpholine
CID 170869858
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869712
4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride
CID 176896090
5-fluoro-3-[3-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]piperazin-1-yl]propyl]-1H-indole
CID 141399447
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
CID 170870044
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
CID 170871315
4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
CID 170870404

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine (CID 170870105) is 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine is FC(F)(F)c1ccnc(-c2ccc(CCCN3CCOCC3)cc2)c1.
What is the InChIKey of 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine?
The InChIKey is QLFIRJQDEJYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)17-7-8-23-18(14-17)16-5-3-15(4-6-16)2-1-9-24-10-12-25-13-11-24/h3-8,14H,1-2,9-13H2.
What are the key properties of 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine?
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine has a molecular weight of 350.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine is sourced from PubChem (CID 170870105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).