3-fluoro-4-methoxyaniline

C7H8FNO — CID 581110

IUPAC3-fluoro-4-methoxyaniline
SMILESCOc1ccc(N)cc1F
InChIInChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChIKeyLJWAPDSCYTZUJU-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.42
Rot. Bonds1

About 3-fluoro-4-methoxyaniline

3-fluoro-4-methoxyaniline (PubChem CID 581110) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name3-fluoro-4-methoxyaniline
PubChem CID581110
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-fluoro-4-methoxyaniline
SMILESCOc1ccc(N)cc1F
InChIInChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChIKeyLJWAPDSCYTZUJU-UHFFFAOYSA-N
XLogP1.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 7732
CID 7732
CID 9076
CID 9076
CID 10824
CID 10824
CID 7579
CID 7579
CID 7000
CID 7000
CID 7485
CID 7485
CID 11976
CID 11976
CID 38360
CID 38360
CID 7571
CID 7571
CID 7203
CID 7203
CID 7610
CID 7610
CID 2734956
CID 2734956

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxyaniline?
The IUPAC name of 3-fluoro-4-methoxyaniline (CID 581110) is 3-fluoro-4-methoxyaniline.
What is the SMILES notation for 3-fluoro-4-methoxyaniline?
The canonical SMILES for 3-fluoro-4-methoxyaniline is COc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-methoxyaniline?
The InChIKey is LJWAPDSCYTZUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3.
What are the key properties of 3-fluoro-4-methoxyaniline?
3-fluoro-4-methoxyaniline has a molecular weight of 141.14 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxyaniline is sourced from PubChem (CID 581110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).