2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole

C10H14FN — CID 166553254

IUPAC2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole
SMILESCCN1CC2=C(CCC(F)=C2)C1
InChIInChI=1S/C10H14FN/c1-2-12-6-8-3-4-10(11)5-9(8)7-12/h5H,2-4,6-7H2,1H3
InChIKeyWVKJUYNXKBXFQN-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.27
Rot. Bonds1

About 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole

2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole (PubChem CID 166553254) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole.

Molecular Properties

Compound Name2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole
PubChem CID166553254
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole
SMILESCCN1CC2=C(CCC(F)=C2)C1
InChIInChI=1S/C10H14FN/c1-2-12-6-8-3-4-10(11)5-9(8)7-12/h5H,2-4,6-7H2,1H3
InChIKeyWVKJUYNXKBXFQN-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole?
The IUPAC name of 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole (CID 166553254) is 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole.
What is the SMILES notation for 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole?
The canonical SMILES for 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole is CCN1CC2=C(CCC(F)=C2)C1.
What is the InChIKey of 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole?
The InChIKey is WVKJUYNXKBXFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-2-12-6-8-3-4-10(11)5-9(8)7-12/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole?
2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole has a molecular weight of 167.23 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-1,3,4,5-tetrahydroisoindole is sourced from PubChem (CID 166553254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).