(2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol

C25H21F9N2O3 — CID 59192642

IUPAC(2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol
SMILESO[C@H](CNCC(Cc1ccccn1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C25H21F9N2O3/c26-23(27,28)21(37)14-35-15-22(13-18-7-1-2-10-36-18,16-5-3-8-19(11-16)38-24(29,30)31)17-6-4-9-20(12-17)39-25(32,33)34/h1-12,21,35,37H,13-15H2/t21-/m1/s1
InChIKeyKWSWXVITIKXBHI-OAQYLSRUSA-N
MW568.44 g/mol
LogP5.92
Rot. Bonds10

About (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol

(2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol (PubChem CID 59192642) has the molecular formula C25H21F9N2O3 and a molecular weight of 568.44 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol
PubChem CID59192642
Molecular FormulaC25H21F9N2O3
Molecular Weight568.44 g/mol
Exact Mass568.14
IUPAC Name(2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol
SMILESO[C@H](CNCC(Cc1ccccn1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C25H21F9N2O3/c26-23(27,28)21(37)14-35-15-22(13-18-7-1-2-10-36-18,16-5-3-8-19(11-16)38-24(29,30)31)17-6-4-9-20(12-17)39-25(32,33)34/h1-12,21,35,37H,13-15H2/t21-/m1/s1
InChIKeyKWSWXVITIKXBHI-OAQYLSRUSA-N
XLogP5.92
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.44
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol with MolForge

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Related Compounds

Pyridin-2-yl-[1-[2-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 56652017
1-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]amino]-4,4,4-trifluorobutan-2-ol
CID 58920231
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71519630
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554709
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554773
(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
CID 71555441
(S)-pyridin-2-yl(1-(4-(trifluoromethoxy)phenyl)cyclobutyl)methanol
CID 89524608
(2S,4R,5R)-2-[bis(4-fluorophenyl)methyl]-5-[(6-methoxy-3-pyridinyl)methylamino]oxan-4-ol
CID 117642303
(2S,4R,5R)-2-benzhydryl-5-[(6-methoxy-3-pyridinyl)methylamino]oxan-4-ol
CID 117642497
(2R)-1,1,1-trifluoro-3-[3-(2-propan-2-yloxy-4-pyridinyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]-2H-indol-1-yl]propan-2-ol
CID 118014038
1-[(6-Methoxyquinolin-4-yl)methylamino]butan-2-ol
CID 407164
[3-(Benzyloxy)benzyl](2-pyridinylmethyl)amine hydrochloride
CID 6457497

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol (CID 59192642) is (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol is O[C@H](CNCC(Cc1ccccn1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol?
The InChIKey is KWSWXVITIKXBHI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H21F9N2O3/c26-23(27,28)21(37)14-35-15-22(13-18-7-1-2-10-36-18,16-5-3-8-19(11-16)38-24(29,30)31)17-6-4-9-20(12-17)39-25(32,33)34/h1-12,21,35,37H,13-15H2/t21-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol has a molecular weight of 568.44 g/mol, XLogP of 5.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[[3-pyridin-2-yl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]amino]propan-2-ol is sourced from PubChem (CID 59192642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).