1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol

C29H24F6N2O2 — CID 23378780

IUPAC1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol
SMILESOC(CN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc(-c2ncccc2C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C29H24F6N2O2/c30-28(31,32)25-13-6-14-36-27(25)22-9-4-7-20(15-22)17-37(19-26(38)29(33,34)35)18-21-8-5-12-24(16-21)39-23-10-2-1-3-11-23/h1-16,26,38H,17-19H2
InChIKeyFWNXURLISMTSAJ-UHFFFAOYSA-N
MW546.51 g/mol
LogP7.49
Rot. Bonds9

About 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol

1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol (PubChem CID 23378780) has the molecular formula C29H24F6N2O2 and a molecular weight of 546.51 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol
PubChem CID23378780
Molecular FormulaC29H24F6N2O2
Molecular Weight546.51 g/mol
Exact Mass546.17
IUPAC Name1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol
SMILESOC(CN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc(-c2ncccc2C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C29H24F6N2O2/c30-28(31,32)25-13-6-14-36-27(25)22-9-4-7-20(15-22)17-37(19-26(38)29(33,34)35)18-21-8-5-12-24(16-21)39-23-10-2-1-3-11-23/h1-16,26,38H,17-19H2
InChIKeyFWNXURLISMTSAJ-UHFFFAOYSA-N
XLogP7.49
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.51
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol (CID 23378780) is 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol is OC(CN(Cc1cccc(Oc2ccccc2)c1)Cc1cccc(-c2ncccc2C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol?
The InChIKey is FWNXURLISMTSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F6N2O2/c30-28(31,32)25-13-6-14-36-27(25)22-9-4-7-20(15-22)17-37(19-26(38)29(33,34)35)18-21-8-5-12-24(16-21)39-23-10-2-1-3-11-23/h1-16,26,38H,17-19H2.
What are the key properties of 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol has a molecular weight of 546.51 g/mol, XLogP of 7.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-phenoxyphenyl)methyl-[[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 23378780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).