1-ethyl-6-fluoro-2,3-dihydroazepine

C8H12FN — CID 169145835

IUPAC1-ethyl-6-fluoro-2,3-dihydroazepine
SMILESCCN1C=C(F)C=CCC1
InChIInChI=1S/C8H12FN/c1-2-10-6-4-3-5-8(9)7-10/h3,5,7H,2,4,6H2,1H3
InChIKeyUCQNGPYPQDIATJ-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.08
Rot. Bonds1

About 1-ethyl-6-fluoro-2,3-dihydroazepine

1-ethyl-6-fluoro-2,3-dihydroazepine (PubChem CID 169145835) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-2,3-dihydroazepine.

Molecular Properties

Compound Name1-ethyl-6-fluoro-2,3-dihydroazepine
PubChem CID169145835
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-ethyl-6-fluoro-2,3-dihydroazepine
SMILESCCN1C=C(F)C=CCC1
InChIInChI=1S/C8H12FN/c1-2-10-6-4-3-5-8(9)7-10/h3,5,7H,2,4,6H2,1H3
InChIKeyUCQNGPYPQDIATJ-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-2,3-dihydroazepine?
The IUPAC name of 1-ethyl-6-fluoro-2,3-dihydroazepine (CID 169145835) is 1-ethyl-6-fluoro-2,3-dihydroazepine.
What is the SMILES notation for 1-ethyl-6-fluoro-2,3-dihydroazepine?
The canonical SMILES for 1-ethyl-6-fluoro-2,3-dihydroazepine is CCN1C=C(F)C=CCC1.
What is the InChIKey of 1-ethyl-6-fluoro-2,3-dihydroazepine?
The InChIKey is UCQNGPYPQDIATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-2-10-6-4-3-5-8(9)7-10/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 1-ethyl-6-fluoro-2,3-dihydroazepine?
1-ethyl-6-fluoro-2,3-dihydroazepine has a molecular weight of 141.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-2,3-dihydroazepine is sourced from PubChem (CID 169145835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).