4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine

C28H24F7NO — CID 21348563

IUPAC4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine
SMILESC=C(CC1OCCN(Cc2ccccc2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H24F7NO/c1-18(21-14-22(27(30,31)32)16-23(15-21)28(33,34)35)13-25-26(20-7-9-24(29)10-8-20)36(11-12-37-25)17-19-5-3-2-4-6-19/h2-10,14-16,25-26H,1,11-13,17H2
InChIKeyNDKLXTCRJUNNJJ-UHFFFAOYSA-N
MW523.49 g/mol
LogP7.91
Rot. Bonds6

About 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine

4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine (PubChem CID 21348563) has the molecular formula C28H24F7NO and a molecular weight of 523.49 g/mol. Its IUPAC name is 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine
PubChem CID21348563
Molecular FormulaC28H24F7NO
Molecular Weight523.49 g/mol
Exact Mass523.17
IUPAC Name4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine
SMILESC=C(CC1OCCN(Cc2ccccc2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H24F7NO/c1-18(21-14-22(27(30,31)32)16-23(15-21)28(33,34)35)13-25-26(20-7-9-24(29)10-8-20)36(11-12-37-25)17-19-5-3-2-4-6-19/h2-10,14-16,25-26H,1,11-13,17H2
InChIKeyNDKLXTCRJUNNJJ-UHFFFAOYSA-N
XLogP7.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.49
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-benzyl-3-(4-fluorophenyl)morpholin-2-yl]oxy-2-[3,5-bis(trifluoromethyl)phenyl]ethanol
CID 87813267
(2R,3S)-4-benzyl-3-(4-fluorophenyl)-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]morpholine
CID 21308853
(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
CID 59896106
[(2R,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] 2,5-bis(trifluoromethyl)benzoate
CID 22860714
(2R,3S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)morpholin-2-ol
CID 142102328
(2R,3R)-1-benzyl-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)piperazine
CID 10129189
(2R,3R)-1-benzyl-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-(4-fluorophenyl)piperazine;dihydrochloride
CID 10129188
(2S,3S)-4-benzyl-2-[4-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]butoxy]-3-phenylmorpholine
CID 10531317
[benzoyloxy-[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-5-oxo-4H-1,2,4-triazol-1-yl]phosphoryl] benzoate
CID 135871216
2-bis(phenylmethoxy)phosphoryl-5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-4H-1,2,4-triazol-3-one
CID 137099331
[(2S,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl] propan-2-yl carbonate
CID 11111533
2-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1H-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 158708508

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine?
The IUPAC name of 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine (CID 21348563) is 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine is C=C(CC1OCCN(Cc2ccccc2)C1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine?
The InChIKey is NDKLXTCRJUNNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F7NO/c1-18(21-14-22(27(30,31)32)16-23(15-21)28(33,34)35)13-25-26(20-7-9-24(29)10-8-20)36(11-12-37-25)17-19-5-3-2-4-6-19/h2-10,14-16,25-26H,1,11-13,17H2.
What are the key properties of 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine?
4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine has a molecular weight of 523.49 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[2-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 21348563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).