2-ethenyl-3-ethyl-5-fluoroaniline

C10H12FN — CID 142576679

IUPAC2-ethenyl-3-ethyl-5-fluoroaniline
SMILESC=Cc1c(N)cc(F)cc1CC
InChIInChI=1S/C10H12FN/c1-3-7-5-8(11)6-10(12)9(7)4-2/h4-6H,2-3,12H2,1H3
InChIKeyYUAIZKBGYJXSDX-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.61
Rot. Bonds2

About 2-ethenyl-3-ethyl-5-fluoroaniline

2-ethenyl-3-ethyl-5-fluoroaniline (PubChem CID 142576679) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-ethenyl-3-ethyl-5-fluoroaniline.

Molecular Properties

Compound Name2-ethenyl-3-ethyl-5-fluoroaniline
PubChem CID142576679
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name2-ethenyl-3-ethyl-5-fluoroaniline
SMILESC=Cc1c(N)cc(F)cc1CC
InChIInChI=1S/C10H12FN/c1-3-7-5-8(11)6-10(12)9(7)4-2/h4-6H,2-3,12H2,1H3
InChIKeyYUAIZKBGYJXSDX-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-ethyl-5-fluoroaniline?
The IUPAC name of 2-ethenyl-3-ethyl-5-fluoroaniline (CID 142576679) is 2-ethenyl-3-ethyl-5-fluoroaniline.
What is the SMILES notation for 2-ethenyl-3-ethyl-5-fluoroaniline?
The canonical SMILES for 2-ethenyl-3-ethyl-5-fluoroaniline is C=Cc1c(N)cc(F)cc1CC.
What is the InChIKey of 2-ethenyl-3-ethyl-5-fluoroaniline?
The InChIKey is YUAIZKBGYJXSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-3-7-5-8(11)6-10(12)9(7)4-2/h4-6H,2-3,12H2,1H3.
What are the key properties of 2-ethenyl-3-ethyl-5-fluoroaniline?
2-ethenyl-3-ethyl-5-fluoroaniline has a molecular weight of 165.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-ethyl-5-fluoroaniline is sourced from PubChem (CID 142576679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).