[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine

C18H14Cl2F6N2O — CID 71466072

IUPAC[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(N2COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C18H14Cl2F6N2O/c19-12-3-11(4-13(20)5-12)16(18(24,25)26)8-28(9-29-16)14-2-1-10(7-27)15(6-14)17(21,22)23/h1-6H,7-9,27H2
InChIKeyFZOUXDMDXHUGIA-UHFFFAOYSA-N
MW459.22 g/mol
LogP5.72
Rot. Bonds3

About [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine

[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 71466072) has the molecular formula C18H14Cl2F6N2O and a molecular weight of 459.22 g/mol. Its IUPAC name is [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine
PubChem CID71466072
Molecular FormulaC18H14Cl2F6N2O
Molecular Weight459.22 g/mol
Exact Mass458.04
IUPAC Name[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(N2COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C18H14Cl2F6N2O/c19-12-3-11(4-13(20)5-12)16(18(24,25)26)8-28(9-29-16)14-2-1-10(7-27)15(6-14)17(21,22)23/h1-6H,7-9,27H2
InChIKeyFZOUXDMDXHUGIA-UHFFFAOYSA-N
XLogP5.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.22
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine 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 [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine (CID 71466072) is [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(N2COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C(F)(F)F.
What is the InChIKey of [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FZOUXDMDXHUGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F6N2O/c19-12-3-11(4-13(20)5-12)16(18(24,25)26)8-28(9-29-16)14-2-1-10(7-27)15(6-14)17(21,22)23/h1-6H,7-9,27H2.
What are the key properties of [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine?
[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 459.22 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 71466072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).