(2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol

C24H18F10N2O3 — CID 10231673

About (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol

(2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol (PubChem CID 10231673) has the molecular formula C24H18F10N2O3 and a molecular weight of 572.40 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol
• PubChem CID: 10231673
• Molecular Formula: C24H18F10N2O3
• Molecular Weight: 572.40 g/mol
• Exact Mass: 572.12
• IUPAC Name: (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol
• SMILES: O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccncc2C(F)(F)F)c1)C(F)(F)F
• InChI: InChI=1S/C24H18F10N2O3/c25-21(26)24(33,34)39-17-6-1-3-14(9-17)12-36(13-20(37)23(30,31)32)15-4-2-5-16(10-15)38-19-7-8-35-11-18(19)22(27,28)29/h1-11,20-21,37H,12-13H2/t20-/m1/s1
• InChIKey: LKTYGMXWNMMEON-HXUWFJFHSA-N
• XLogP: 7.06
• TPSA: 54.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.40
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol?

The IUPAC name of (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol (CID 10231673) is (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol.

What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol?

The canonical SMILES for (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol is O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccncc2C(F)(F)F)c1)C(F)(F)F.

What is the InChIKey of (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol?

The InChIKey is LKTYGMXWNMMEON-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H18F10N2O3/c25-21(26)24(33,34)39-17-6-1-3-14(9-17)12-36(13-20(37)23(30,31)32)15-4-2-5-16(10-15)38-19-7-8-35-11-18(19)22(27,28)29/h1-11,20-21,37H,12-13H2/t20-/m1/s1.

What are the key properties of (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol?

(2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol has a molecular weight of 572.40 g/mol, XLogP of 7.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)-4-pyridinyl]oxy]anilino]propan-2-ol is sourced from PubChem (CID 10231673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).