(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine

C26H26F10N2O3 — CID 142767961

IUPAC(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine
SMILESFc1ccc([C@@H]2CN(C[C@H](O[C@@H](CN3CCO[C@H](c4ccc(F)c(F)c4)C3)C(F)(F)F)C(F)(F)F)CCO2)cc1F
InChIInChI=1S/C26H26F10N2O3/c27-17-3-1-15(9-19(17)29)21-11-37(5-7-39-21)13-23(25(31,32)33)41-24(26(34,35)36)14-38-6-8-40-22(12-38)16-2-4-18(28)20(30)10-16/h1-4,9-10,21-24H,5-8,11-14H2/t21-,22-,23-,24-/m0/s1
InChIKeyNUWRAVORKJOXER-ZJZGAYNASA-N
MW604.49 g/mol
LogP5.57
Rot. Bonds8

About (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine

(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine (PubChem CID 142767961) has the molecular formula C26H26F10N2O3 and a molecular weight of 604.49 g/mol. Its IUPAC name is (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine
PubChem CID142767961
Molecular FormulaC26H26F10N2O3
Molecular Weight604.49 g/mol
Exact Mass604.18
IUPAC Name(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine
SMILESFc1ccc([C@@H]2CN(C[C@H](O[C@@H](CN3CCO[C@H](c4ccc(F)c(F)c4)C3)C(F)(F)F)C(F)(F)F)CCO2)cc1F
InChIInChI=1S/C26H26F10N2O3/c27-17-3-1-15(9-19(17)29)21-11-37(5-7-39-21)13-23(25(31,32)33)41-24(26(34,35)36)14-38-6-8-40-22(12-38)16-2-4-18(28)20(30)10-16/h1-4,9-10,21-24H,5-8,11-14H2/t21-,22-,23-,24-/m0/s1
InChIKeyNUWRAVORKJOXER-ZJZGAYNASA-N
XLogP5.57
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine with MolForge

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Related Compounds

[3-[2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] N-(4-chloro-3-fluorophenyl)carbamate
CID 123166052
1-cyclohexyloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959087
[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate
CID 142726077
2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline
CID 174794681
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078
2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432790
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
[1,1,1-trifluoro-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-yl] N-(4-chlorophenyl)carbamate
CID 123137258
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
CID 138959008
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine?
The IUPAC name of (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine (CID 142767961) is (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine.
What is the SMILES notation for (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine?
The canonical SMILES for (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine is Fc1ccc([C@@H]2CN(C[C@H](O[C@@H](CN3CCO[C@H](c4ccc(F)c(F)c4)C3)C(F)(F)F)C(F)(F)F)CCO2)cc1F.
What is the InChIKey of (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine?
The InChIKey is NUWRAVORKJOXER-ZJZGAYNASA-N. The full InChI is InChI=1S/C26H26F10N2O3/c27-17-3-1-15(9-19(17)29)21-11-37(5-7-39-21)13-23(25(31,32)33)41-24(26(34,35)36)14-38-6-8-40-22(12-38)16-2-4-18(28)20(30)10-16/h1-4,9-10,21-24H,5-8,11-14H2/t21-,22-,23-,24-/m0/s1.
What are the key properties of (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine?
(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine has a molecular weight of 604.49 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine is sourced from PubChem (CID 142767961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).