N-fluoro-N-[(E)-1-phenylethylideneamino]aniline

C14H13FN2 — CID 175561413

IUPACN-fluoro-N-[(E)-1-phenylethylideneamino]aniline
SMILESC/C(=N\N(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13FN2/c1-12(13-8-4-2-5-9-13)16-17(15)14-10-6-3-7-11-14/h2-11H,1H3/b16-12+
InChIKeyYVRXAXLYEGTNBR-FOWTUZBSSA-N
MW228.27 g/mol
LogP3.80
Rot. Bonds3

About N-fluoro-N-[(E)-1-phenylethylideneamino]aniline

N-fluoro-N-[(E)-1-phenylethylideneamino]aniline (PubChem CID 175561413) has the molecular formula C14H13FN2 and a molecular weight of 228.27 g/mol. Its IUPAC name is N-fluoro-N-[(E)-1-phenylethylideneamino]aniline.

Molecular Properties

Compound NameN-fluoro-N-[(E)-1-phenylethylideneamino]aniline
PubChem CID175561413
Molecular FormulaC14H13FN2
Molecular Weight228.27 g/mol
Exact Mass228.11
IUPAC NameN-fluoro-N-[(E)-1-phenylethylideneamino]aniline
SMILESC/C(=N\N(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13FN2/c1-12(13-8-4-2-5-9-13)16-17(15)14-10-6-3-7-11-14/h2-11H,1H3/b16-12+
InChIKeyYVRXAXLYEGTNBR-FOWTUZBSSA-N
XLogP3.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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-fluoro-N-[(E)-1-phenylethylideneamino]aniline?
The IUPAC name of N-fluoro-N-[(E)-1-phenylethylideneamino]aniline (CID 175561413) is N-fluoro-N-[(E)-1-phenylethylideneamino]aniline.
What is the SMILES notation for N-fluoro-N-[(E)-1-phenylethylideneamino]aniline?
The canonical SMILES for N-fluoro-N-[(E)-1-phenylethylideneamino]aniline is C/C(=N\N(F)c1ccccc1)c1ccccc1.
What is the InChIKey of N-fluoro-N-[(E)-1-phenylethylideneamino]aniline?
The InChIKey is YVRXAXLYEGTNBR-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H13FN2/c1-12(13-8-4-2-5-9-13)16-17(15)14-10-6-3-7-11-14/h2-11H,1H3/b16-12+.
What are the key properties of N-fluoro-N-[(E)-1-phenylethylideneamino]aniline?
N-fluoro-N-[(E)-1-phenylethylideneamino]aniline has a molecular weight of 228.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[(E)-1-phenylethylideneamino]aniline is sourced from PubChem (CID 175561413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).