4-fluoro-N-methoxy-N-phenylaniline

C13H12FNO — CID 88537361

IUPAC4-fluoro-N-methoxy-N-phenylaniline
SMILESCON(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO/c1-16-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10H,1H3
InChIKeyMRDCTOKKOVDFNX-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.53
Rot. Bonds3

About 4-fluoro-N-methoxy-N-phenylaniline

4-fluoro-N-methoxy-N-phenylaniline (PubChem CID 88537361) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-fluoro-N-methoxy-N-phenylaniline.

Molecular Properties

Compound Name4-fluoro-N-methoxy-N-phenylaniline
PubChem CID88537361
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-fluoro-N-methoxy-N-phenylaniline
SMILESCON(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO/c1-16-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10H,1H3
InChIKeyMRDCTOKKOVDFNX-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
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 4-fluoro-N-methoxy-N-phenylaniline?
The IUPAC name of 4-fluoro-N-methoxy-N-phenylaniline (CID 88537361) is 4-fluoro-N-methoxy-N-phenylaniline.
What is the SMILES notation for 4-fluoro-N-methoxy-N-phenylaniline?
The canonical SMILES for 4-fluoro-N-methoxy-N-phenylaniline is CON(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methoxy-N-phenylaniline?
The InChIKey is MRDCTOKKOVDFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-16-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10H,1H3.
What are the key properties of 4-fluoro-N-methoxy-N-phenylaniline?
4-fluoro-N-methoxy-N-phenylaniline has a molecular weight of 217.24 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methoxy-N-phenylaniline is sourced from PubChem (CID 88537361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).