2-(3-ethenyl-2-fluorophenyl)ethanamine

C10H12FN — CID 130050835

IUPAC2-(3-ethenyl-2-fluorophenyl)ethanamine
SMILESC=Cc1cccc(CCN)c1F
InChIInChI=1S/C10H12FN/c1-2-8-4-3-5-9(6-7-12)10(8)11/h2-5H,1,6-7,12H2
InChIKeyGGZWJPFPCLZVGJ-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.97
Rot. Bonds3

About 2-(3-ethenyl-2-fluorophenyl)ethanamine

2-(3-ethenyl-2-fluorophenyl)ethanamine (PubChem CID 130050835) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-(3-ethenyl-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethenyl-2-fluorophenyl)ethanamine
PubChem CID130050835
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name2-(3-ethenyl-2-fluorophenyl)ethanamine
SMILESC=Cc1cccc(CCN)c1F
InChIInChI=1S/C10H12FN/c1-2-8-4-3-5-9(6-7-12)10(8)11/h2-5H,1,6-7,12H2
InChIKeyGGZWJPFPCLZVGJ-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-ethenyl-2-fluorophenyl)ethanamine (CID 130050835) is 2-(3-ethenyl-2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-ethenyl-2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-ethenyl-2-fluorophenyl)ethanamine is C=Cc1cccc(CCN)c1F.
What is the InChIKey of 2-(3-ethenyl-2-fluorophenyl)ethanamine?
The InChIKey is GGZWJPFPCLZVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-2-8-4-3-5-9(6-7-12)10(8)11/h2-5H,1,6-7,12H2.
What are the key properties of 2-(3-ethenyl-2-fluorophenyl)ethanamine?
2-(3-ethenyl-2-fluorophenyl)ethanamine has a molecular weight of 165.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2-fluorophenyl)ethanamine is sourced from PubChem (CID 130050835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).