(2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine

C23H27F4NO2 — CID 153349042

IUPAC(2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine
SMILESCCC[C@@H]1[C@@H](CC)OCCN1c1cc(F)c(-c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C23H27F4NO2/c1-4-7-19-21(5-2)30-11-10-28(19)20-14-18(24)17(13-22(20)29-3)15-8-6-9-16(12-15)23(25,26)27/h6,8-9,12-14,19,21H,4-5,7,10-11H2,1-3H3/t19-,21-/m1/s1
InChIKeyDHLSIQVIQUUQKX-TZIWHRDSSA-N
MW425.47 g/mol
LogP6.30
Rot. Bonds6

About (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine

(2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine (PubChem CID 153349042) has the molecular formula C23H27F4NO2 and a molecular weight of 425.47 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine
PubChem CID153349042
Molecular FormulaC23H27F4NO2
Molecular Weight425.47 g/mol
Exact Mass425.20
IUPAC Name(2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine
SMILESCCC[C@@H]1[C@@H](CC)OCCN1c1cc(F)c(-c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C23H27F4NO2/c1-4-7-19-21(5-2)30-11-10-28(19)20-14-18(24)17(13-22(20)29-3)15-8-6-9-16(12-15)23(25,26)27/h6,8-9,12-14,19,21H,4-5,7,10-11H2,1-3H3/t19-,21-/m1/s1
InChIKeyDHLSIQVIQUUQKX-TZIWHRDSSA-N
XLogP6.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine;hydrochloride
CID 139531240
(5R,6R)-5-ethyl-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-6-propylpiperidin-2-one;formaldehyde;3-methyl-1,2-oxazole
CID 153349014
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
(4aS,8aS)-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-sulfonamide
CID 139531048
[2-methoxy-5-methyl-4-[3-(trifluoromethyl)phenyl]phenyl]boronic acid
CID 123757639
(4aR,8aR)-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-d][1,3]oxazine-6-sulfonamide;(4aS,8aS)-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-d][1,3]oxazine-6-sulfonamide
CID 159081971
(4aS,8aS)-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-d][1,3]oxazine-6-sulfonamide
CID 139530995
(4aR,8aR)-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-hydroxy-N-(1,2-oxazol-3-yl)-4,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-d][1,3]oxazine-6-sulfonamide
CID 166714635
1-propyl-5-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 118917965
N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)
CID 162460969
1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-oxo-N-pyridazin-3-yl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfinamide
CID 145149331
4-ethynyl-1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 155288738

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine?
The IUPAC name of (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine (CID 153349042) is (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine.
What is the SMILES notation for (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine?
The canonical SMILES for (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine is CCC[C@@H]1[C@@H](CC)OCCN1c1cc(F)c(-c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine?
The InChIKey is DHLSIQVIQUUQKX-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H27F4NO2/c1-4-7-19-21(5-2)30-11-10-28(19)20-14-18(24)17(13-22(20)29-3)15-8-6-9-16(12-15)23(25,26)27/h6,8-9,12-14,19,21H,4-5,7,10-11H2,1-3H3/t19-,21-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine?
(2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine has a molecular weight of 425.47 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-4-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-3-propylmorpholine is sourced from PubChem (CID 153349042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).