1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol

C24H19F8NO3 — CID 10229808

IUPAC1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C24H19F8NO3/c25-16-7-9-18(10-8-16)35-19-5-2-4-17(12-19)33(14-21(34)23(28,29)30)13-15-3-1-6-20(11-15)36-24(31,32)22(26)27/h1-12,21-22,34H,13-14H2
InChIKeyZHUQKYBEVUVRAV-UHFFFAOYSA-N
MW521.40 g/mol
LogP6.78
Rot. Bonds10

About 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol

1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol (PubChem CID 10229808) has the molecular formula C24H19F8NO3 and a molecular weight of 521.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
PubChem CID10229808
Molecular FormulaC24H19F8NO3
Molecular Weight521.40 g/mol
Exact Mass521.12
IUPAC Name1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
SMILESOC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C24H19F8NO3/c25-16-7-9-18(10-8-16)35-19-5-2-4-17(12-19)33(14-21(34)23(28,29)30)13-15-3-1-6-20(11-15)36-24(31,32)22(26)27/h1-12,21-22,34H,13-14H2
InChIKeyZHUQKYBEVUVRAV-UHFFFAOYSA-N
XLogP6.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.40
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]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-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol (CID 10229808) is 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol is OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol?
The InChIKey is ZHUQKYBEVUVRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F8NO3/c25-16-7-9-18(10-8-16)35-19-5-2-4-17(12-19)33(14-21(34)23(28,29)30)13-15-3-1-6-20(11-15)36-24(31,32)22(26)27/h1-12,21-22,34H,13-14H2.
What are the key properties of 1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol?
1,1,1-trifluoro-3-[3-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol has a molecular weight of 521.40 g/mol, XLogP of 6.78, 10 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-(4-fluorophenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol is sourced from PubChem (CID 10229808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).