4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine

C20H22F3NO2 — CID 42867737

IUPAC4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
SMILESFC(F)(F)c1cccc(OC(CCN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)17-7-4-8-18(15-17)26-19(16-5-2-1-3-6-16)9-10-24-11-13-25-14-12-24/h1-8,15,19H,9-14H2
InChIKeyGAJADYLSUMQVGS-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.55
Rot. Bonds6

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

4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine (PubChem CID 42867737) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
PubChem CID42867737
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
SMILESFC(F)(F)c1cccc(OC(CCN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)17-7-4-8-18(15-17)26-19(16-5-2-1-3-6-16)9-10-24-11-13-25-14-12-24/h1-8,15,19H,9-14H2
InChIKeyGAJADYLSUMQVGS-UHFFFAOYSA-N
XLogP4.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline
CID 42867932
4-[3-(3-methoxyphenoxy)-3-phenylpropyl]morpholine
CID 3074452
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
1-[3-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 42867935
8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975983
4-[3-(1,3-benzodioxol-5-yloxy)-3-(3-methoxyphenyl)propyl]morpholine
CID 42867823
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
1-[3-(3-chlorophenoxy)-3-phenylpropyl]piperidine
CID 71384087
1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
CID 11797416
8-[3-(3,5-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975846
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117242900
1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
CID 42867847

Frequently Asked Questions

What is the IUPAC name of 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine?
The IUPAC name of 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine (CID 42867737) is 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine is FC(F)(F)c1cccc(OC(CCN2CCOCC2)c2ccccc2)c1.
What is the InChIKey of 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine?
The InChIKey is GAJADYLSUMQVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c21-20(22,23)17-7-4-8-18(15-17)26-19(16-5-2-1-3-6-16)9-10-24-11-13-25-14-12-24/h1-8,15,19H,9-14H2.
What are the key properties of 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine?
4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine has a molecular weight of 365.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine is sourced from PubChem (CID 42867737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).