11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine

C16H14FN — CID 134996810

IUPAC11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine
SMILESCCC1c2ccccc2C=Nc2ccc(F)cc21
InChIInChI=1S/C16H14FN/c1-2-13-14-6-4-3-5-11(14)10-18-16-8-7-12(17)9-15(13)16/h3-10,13H,2H2,1H3
InChIKeyKBJQHLCHTNMGMQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP4.43
Rot. Bonds1

About 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine

11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine (PubChem CID 134996810) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine
PubChem CID134996810
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine
SMILESCCC1c2ccccc2C=Nc2ccc(F)cc21
InChIInChI=1S/C16H14FN/c1-2-13-14-6-4-3-5-11(14)10-18-16-8-7-12(17)9-15(13)16/h3-10,13H,2H2,1H3
InChIKeyKBJQHLCHTNMGMQ-UHFFFAOYSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine?
The IUPAC name of 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine (CID 134996810) is 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine.
What is the SMILES notation for 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine?
The canonical SMILES for 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine is CCC1c2ccccc2C=Nc2ccc(F)cc21.
What is the InChIKey of 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine?
The InChIKey is KBJQHLCHTNMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-2-13-14-6-4-3-5-11(14)10-18-16-8-7-12(17)9-15(13)16/h3-10,13H,2H2,1H3.
What are the key properties of 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine?
11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine has a molecular weight of 239.29 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-2-fluoro-11H-benzo[c][1]benzazepine is sourced from PubChem (CID 134996810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).