4-ethoxy-3-fluoroaniline

C8H10FNO — CID 19599205

IUPAC4-ethoxy-3-fluoroaniline
SMILESCCOc1ccc(N)cc1F
InChIInChI=1S/C8H10FNO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2,10H2,1H3
InChIKeyASLWQZGYKULGPD-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.81
Rot. Bonds2

About 4-ethoxy-3-fluoroaniline

4-ethoxy-3-fluoroaniline (PubChem CID 19599205) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 4-ethoxy-3-fluoroaniline.

Molecular Properties

Compound Name4-ethoxy-3-fluoroaniline
PubChem CID19599205
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name4-ethoxy-3-fluoroaniline
SMILESCCOc1ccc(N)cc1F
InChIInChI=1S/C8H10FNO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2,10H2,1H3
InChIKeyASLWQZGYKULGPD-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.81
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

Phenacetin
CID 4754
P-Anisidine
CID 7732
4-Ethoxyaniline
CID 9076
2-Methoxyaniline
CID 7000
4,4'-Diaminodiphenyl Ether
CID 7579
4-Hexyloxyaniline
CID 38360
4-Nitrophenetol
CID 7495
4-Benzyloxyaniline
CID 22860
Benzenamine, 2-phenoxy-
CID 75899
4-Isopropoxydiphenylamine
CID 7574
o-Phenetidine
CID 7203
3-Ethoxyaniline
CID 12120

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoroaniline?
The IUPAC name of 4-ethoxy-3-fluoroaniline (CID 19599205) is 4-ethoxy-3-fluoroaniline.
What is the SMILES notation for 4-ethoxy-3-fluoroaniline?
The canonical SMILES for 4-ethoxy-3-fluoroaniline is CCOc1ccc(N)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoroaniline?
The InChIKey is ASLWQZGYKULGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2,10H2,1H3.
What are the key properties of 4-ethoxy-3-fluoroaniline?
4-ethoxy-3-fluoroaniline has a molecular weight of 155.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoroaniline is sourced from PubChem (CID 19599205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).