N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine

C17H10F9N — CID 10340860

IUPACN-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F9N/c1-9(10-2-4-11(5-3-10)15(18,19)20)27-14-8-12(16(21,22)23)6-7-13(14)17(24,25)26/h2-8H,1H3/b27-9+
InChIKeyBAENCEWHEVSMQL-OXUBWTJQSA-N
MW399.26 g/mol
LogP6.88
Rot. Bonds2

About N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine

N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 10340860) has the molecular formula C17H10F9N and a molecular weight of 399.26 g/mol. Its IUPAC name is N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID10340860
Molecular FormulaC17H10F9N
Molecular Weight399.26 g/mol
Exact Mass399.07
IUPAC NameN-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F9N/c1-9(10-2-4-11(5-3-10)15(18,19)20)27-14-8-12(16(21,22)23)6-7-13(14)17(24,25)26/h2-8H,1H3/b27-9+
InChIKeyBAENCEWHEVSMQL-OXUBWTJQSA-N
XLogP6.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.26
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 10340860) is N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine is C/C(=N\c1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is BAENCEWHEVSMQL-OXUBWTJQSA-N. The full InChI is InChI=1S/C17H10F9N/c1-9(10-2-4-11(5-3-10)15(18,19)20)27-14-8-12(16(21,22)23)6-7-13(14)17(24,25)26/h2-8H,1H3/b27-9+.
What are the key properties of N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 399.26 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 10340860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).