3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine

C14H11F2N — CID 10609540

IUPAC3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine
SMILESFc1ccc2c(c1)CCc1cc(F)ccc1N2
InChIInChI=1S/C14H11F2N/c15-11-3-5-13-9(7-11)1-2-10-8-12(16)4-6-14(10)17-13/h3-8,17H,1-2H2
InChIKeyFFGYDIVAVNANGN-UHFFFAOYSA-N
MW231.25 g/mol
LogP3.81
Rot. Bonds

About 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine

3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine (PubChem CID 10609540) has the molecular formula C14H11F2N and a molecular weight of 231.25 g/mol. Its IUPAC name is 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine.

Molecular Properties

Compound Name3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine
PubChem CID10609540
Molecular FormulaC14H11F2N
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine
SMILESFc1ccc2c(c1)CCc1cc(F)ccc1N2
InChIInChI=1S/C14H11F2N/c15-11-3-5-13-9(7-11)1-2-10-8-12(16)4-6-14(10)17-13/h3-8,17H,1-2H2
InChIKeyFFGYDIVAVNANGN-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine?
The IUPAC name of 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine (CID 10609540) is 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine.
What is the SMILES notation for 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine?
The canonical SMILES for 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine is Fc1ccc2c(c1)CCc1cc(F)ccc1N2.
What is the InChIKey of 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine?
The InChIKey is FFGYDIVAVNANGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N/c15-11-3-5-13-9(7-11)1-2-10-8-12(16)4-6-14(10)17-13/h3-8,17H,1-2H2.
What are the key properties of 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine?
3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine has a molecular weight of 231.25 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-difluoro-6,11-dihydro-5H-benzo[b][1]benzazepine is sourced from PubChem (CID 10609540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).