N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline

C19H10F12N2 — CID 98105012

IUPACN-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(/N=C/C=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H10F12N2/c20-16(21,22)10-4-11(17(23,24)25)7-14(6-10)32-2-1-3-33-15-8-12(18(26,27)28)5-13(9-15)19(29,30)31/h1-9,32H/b2-1-,33-3+
InChIKeyYRUIBEKLLDGFKP-ARQDNKCWSA-N
MW494.28 g/mol
LogP8.09
Rot. Bonds4

About N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline

N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline (PubChem CID 98105012) has the molecular formula C19H10F12N2 and a molecular weight of 494.28 g/mol. Its IUPAC name is N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline
PubChem CID98105012
Molecular FormulaC19H10F12N2
Molecular Weight494.28 g/mol
Exact Mass494.07
IUPAC NameN-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(/N=C/C=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H10F12N2/c20-16(21,22)10-4-11(17(23,24)25)7-14(6-10)32-2-1-3-33-15-8-12(18(26,27)28)5-13(9-15)19(29,30)31/h1-9,32H/b2-1-,33-3+
InChIKeyYRUIBEKLLDGFKP-ARQDNKCWSA-N
XLogP8.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.28
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline 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 N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline?
The IUPAC name of N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline (CID 98105012) is N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline?
The canonical SMILES for N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline is FC(F)(F)c1cc(/N=C/C=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline?
The InChIKey is YRUIBEKLLDGFKP-ARQDNKCWSA-N. The full InChI is InChI=1S/C19H10F12N2/c20-16(21,22)10-4-11(17(23,24)25)7-14(6-10)32-2-1-3-33-15-8-12(18(26,27)28)5-13(9-15)19(29,30)31/h1-9,32H/b2-1-,33-3+.
What are the key properties of N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline?
N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline has a molecular weight of 494.28 g/mol, XLogP of 8.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[3,5-bis(trifluoromethyl)phenyl]iminoprop-1-enyl]-3,5-bis(trifluoromethyl)aniline is sourced from PubChem (CID 98105012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).