4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

C20H18F7NO2 — CID 18695388

IUPAC4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
SMILESCC(ON1CCOCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F7NO2/c1-12(14-8-15(19(22,23)24)10-16(9-14)20(25,26)27)30-28-6-7-29-11-18(28)13-2-4-17(21)5-3-13/h2-5,8-10,12,18H,6-7,11H2,1H3
InChIKeyPXGQAXZVQNAIIV-UHFFFAOYSA-N
MW437.36 g/mol
LogP5.93
Rot. Bonds4

About 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine

4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine (PubChem CID 18695388) has the molecular formula C20H18F7NO2 and a molecular weight of 437.36 g/mol. Its IUPAC name is 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
PubChem CID18695388
Molecular FormulaC20H18F7NO2
Molecular Weight437.36 g/mol
Exact Mass437.12
IUPAC Name4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
SMILESCC(ON1CCOCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F7NO2/c1-12(14-8-15(19(22,23)24)10-16(9-14)20(25,26)27)30-28-6-7-29-11-18(28)13-2-4-17(21)5-3-13/h2-5,8-10,12,18H,6-7,11H2,1H3
InChIKeyPXGQAXZVQNAIIV-UHFFFAOYSA-N
XLogP5.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.36
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-1-aza-bicyclo[2.2.2]octane
CID 44294293
2-[4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetonitrile
CID 10140125
Jdh4VT5tsv
CID 11568372
2-[4-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]piperazino]ethanol
CID 22353158
(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride
CID 10116311
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)ethyl]piperazine
CID 44338510
1-[2-[[3-Fluoro-5-(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine
CID 44338546
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2,3-difluorophenyl)ethyl]piperazine
CID 44338583
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-fluorophenyl)ethyl]piperazine
CID 44338618

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine?
The IUPAC name of 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine (CID 18695388) is 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine is CC(ON1CCOCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine?
The InChIKey is PXGQAXZVQNAIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F7NO2/c1-12(14-8-15(19(22,23)24)10-16(9-14)20(25,26)27)30-28-6-7-29-11-18(28)13-2-4-17(21)5-3-13/h2-5,8-10,12,18H,6-7,11H2,1H3.
What are the key properties of 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine?
4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine has a molecular weight of 437.36 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 18695388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).