N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline

C14H10F4N2O — CID 169382672

IUPACN-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline
SMILESFc1cc(C=NNc2ccccc2)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F4N2O/c15-11-6-10(7-13(8-11)21-14(16,17)18)9-19-20-12-4-2-1-3-5-12/h1-9,20H
InChIKeyRAPAJGSHZBJNEB-UHFFFAOYSA-N
MW298.24 g/mol
LogP4.17
Rot. Bonds4

About N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline

N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline (PubChem CID 169382672) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline
PubChem CID169382672
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC NameN-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline
SMILESFc1cc(C=NNc2ccccc2)cc(OC(F)(F)F)c1
InChIInChI=1S/C14H10F4N2O/c15-11-6-10(7-13(8-11)21-14(16,17)18)9-19-20-12-4-2-1-3-5-12/h1-9,20H
InChIKeyRAPAJGSHZBJNEB-UHFFFAOYSA-N
XLogP4.17
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline (CID 169382672) is N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline is Fc1cc(C=NNc2ccccc2)cc(OC(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline?
The InChIKey is RAPAJGSHZBJNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c15-11-6-10(7-13(8-11)21-14(16,17)18)9-19-20-12-4-2-1-3-5-12/h1-9,20H.
What are the key properties of N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline?
N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline has a molecular weight of 298.24 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).