(2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol

C23H18ClF7N2O — CID 58920359

IUPAC(2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C23H18ClF7N2O/c24-17-6-7-19(32-12-17)21(11-14-4-2-1-3-5-14,33-13-20(34)23(29,30)31)15-8-16(22(26,27)28)10-18(25)9-15/h1-10,12,20,33-34H,11,13H2/t20-,21+/m1/s1
InChIKeyRAWCQYTUDGQHNY-RTWAWAEBSA-N
MW506.85 g/mol
LogP5.89
Rot. Bonds7

About (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol

(2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 58920359) has the molecular formula C23H18ClF7N2O and a molecular weight of 506.85 g/mol. Its IUPAC name is (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID58920359
Molecular FormulaC23H18ClF7N2O
Molecular Weight506.85 g/mol
Exact Mass506.10
IUPAC Name(2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESO[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F
InChIInChI=1S/C23H18ClF7N2O/c24-17-6-7-19(32-12-17)21(11-14-4-2-1-3-5-14,33-13-20(34)23(29,30)31)15-8-16(22(26,27)28)10-18(25)9-15/h1-10,12,20,33-34H,11,13H2/t20-,21+/m1/s1
InChIKeyRAWCQYTUDGQHNY-RTWAWAEBSA-N
XLogP5.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.85
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol (CID 58920359) is (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol is O[C@H](CN[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F.
What is the InChIKey of (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is RAWCQYTUDGQHNY-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H18ClF7N2O/c24-17-6-7-19(32-12-17)21(11-14-4-2-1-3-5-14,33-13-20(34)23(29,30)31)15-8-16(22(26,27)28)10-18(25)9-15/h1-10,12,20,33-34H,11,13H2/t20-,21+/m1/s1.
What are the key properties of (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol?
(2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 506.85 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 58920359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).