4-fluoro-2-[(methylideneamino)methoxy]aniline

C8H9FN2O — CID 163859178

IUPAC4-fluoro-2-[(methylideneamino)methoxy]aniline
SMILESC=NCOc1cc(F)ccc1N
InChIInChI=1S/C8H9FN2O/c1-11-5-12-8-4-6(9)2-3-7(8)10/h2-4H,1,5,10H2
InChIKeyPAZPAPXNSDZMSR-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.44
Rot. Bonds3

About 4-fluoro-2-[(methylideneamino)methoxy]aniline

4-fluoro-2-[(methylideneamino)methoxy]aniline (PubChem CID 163859178) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-fluoro-2-[(methylideneamino)methoxy]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(methylideneamino)methoxy]aniline
PubChem CID163859178
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name4-fluoro-2-[(methylideneamino)methoxy]aniline
SMILESC=NCOc1cc(F)ccc1N
InChIInChI=1S/C8H9FN2O/c1-11-5-12-8-4-6(9)2-3-7(8)10/h2-4H,1,5,10H2
InChIKeyPAZPAPXNSDZMSR-UHFFFAOYSA-N
XLogP1.44
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(methylideneamino)methoxy]aniline?
The IUPAC name of 4-fluoro-2-[(methylideneamino)methoxy]aniline (CID 163859178) is 4-fluoro-2-[(methylideneamino)methoxy]aniline.
What is the SMILES notation for 4-fluoro-2-[(methylideneamino)methoxy]aniline?
The canonical SMILES for 4-fluoro-2-[(methylideneamino)methoxy]aniline is C=NCOc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[(methylideneamino)methoxy]aniline?
The InChIKey is PAZPAPXNSDZMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-11-5-12-8-4-6(9)2-3-7(8)10/h2-4H,1,5,10H2.
What are the key properties of 4-fluoro-2-[(methylideneamino)methoxy]aniline?
4-fluoro-2-[(methylideneamino)methoxy]aniline has a molecular weight of 168.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(methylideneamino)methoxy]aniline is sourced from PubChem (CID 163859178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).