3-fluoro-N-phenylmethoxyaniline

C13H12FNO — CID 59957349

IUPAC3-fluoro-N-phenylmethoxyaniline
SMILESFc1cccc(NOCc2ccccc2)c1
InChIInChI=1S/C13H12FNO/c14-12-7-4-8-13(9-12)15-16-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyDZAZHHGLCLAIIU-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.37
Rot. Bonds4

About 3-fluoro-N-phenylmethoxyaniline

3-fluoro-N-phenylmethoxyaniline (PubChem CID 59957349) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-fluoro-N-phenylmethoxyaniline.

Molecular Properties

Compound Name3-fluoro-N-phenylmethoxyaniline
PubChem CID59957349
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name3-fluoro-N-phenylmethoxyaniline
SMILESFc1cccc(NOCc2ccccc2)c1
InChIInChI=1S/C13H12FNO/c14-12-7-4-8-13(9-12)15-16-10-11-5-2-1-3-6-11/h1-9,15H,10H2
InChIKeyDZAZHHGLCLAIIU-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-phenylmethoxyaniline?
The IUPAC name of 3-fluoro-N-phenylmethoxyaniline (CID 59957349) is 3-fluoro-N-phenylmethoxyaniline.
What is the SMILES notation for 3-fluoro-N-phenylmethoxyaniline?
The canonical SMILES for 3-fluoro-N-phenylmethoxyaniline is Fc1cccc(NOCc2ccccc2)c1.
What is the InChIKey of 3-fluoro-N-phenylmethoxyaniline?
The InChIKey is DZAZHHGLCLAIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-12-7-4-8-13(9-12)15-16-10-11-5-2-1-3-6-11/h1-9,15H,10H2.
What are the key properties of 3-fluoro-N-phenylmethoxyaniline?
3-fluoro-N-phenylmethoxyaniline has a molecular weight of 217.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-phenylmethoxyaniline is sourced from PubChem (CID 59957349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).