3-(1-ethoxyethenyl)-5-fluoroaniline

C10H12FNO — CID 165464501

IUPAC3-(1-ethoxyethenyl)-5-fluoroaniline
SMILESC=C(OCC)c1cc(N)cc(F)c1
InChIInChI=1S/C10H12FNO/c1-3-13-7(2)8-4-9(11)6-10(12)5-8/h4-6H,2-3,12H2,1H3
InChIKeyUUXRBYXQGAJZJY-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.42
Rot. Bonds3

About 3-(1-ethoxyethenyl)-5-fluoroaniline

3-(1-ethoxyethenyl)-5-fluoroaniline (PubChem CID 165464501) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-5-fluoroaniline
PubChem CID165464501
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(1-ethoxyethenyl)-5-fluoroaniline
SMILESC=C(OCC)c1cc(N)cc(F)c1
InChIInChI=1S/C10H12FNO/c1-3-13-7(2)8-4-9(11)6-10(12)5-8/h4-6H,2-3,12H2,1H3
InChIKeyUUXRBYXQGAJZJY-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-5-fluoroaniline?
The IUPAC name of 3-(1-ethoxyethenyl)-5-fluoroaniline (CID 165464501) is 3-(1-ethoxyethenyl)-5-fluoroaniline.
What is the SMILES notation for 3-(1-ethoxyethenyl)-5-fluoroaniline?
The canonical SMILES for 3-(1-ethoxyethenyl)-5-fluoroaniline is C=C(OCC)c1cc(N)cc(F)c1.
What is the InChIKey of 3-(1-ethoxyethenyl)-5-fluoroaniline?
The InChIKey is UUXRBYXQGAJZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-3-13-7(2)8-4-9(11)6-10(12)5-8/h4-6H,2-3,12H2,1H3.
What are the key properties of 3-(1-ethoxyethenyl)-5-fluoroaniline?
3-(1-ethoxyethenyl)-5-fluoroaniline has a molecular weight of 181.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-5-fluoroaniline is sourced from PubChem (CID 165464501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).