1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine

C15H14FNO — CID 164609525

IUPAC1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine
SMILESCOc1ccc2c(c1)Cc1c(F)cccc1NC2
InChIInChI=1S/C15H14FNO/c1-18-12-6-5-10-9-17-15-4-2-3-14(16)13(15)8-11(10)7-12/h2-7,17H,8-9H2,1H3
InChIKeyGPVRDRGKZTZTPP-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.35
Rot. Bonds1

About 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine

1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine (PubChem CID 164609525) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine.

Molecular Properties

Compound Name1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine
PubChem CID164609525
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine
SMILESCOc1ccc2c(c1)Cc1c(F)cccc1NC2
InChIInChI=1S/C15H14FNO/c1-18-12-6-5-10-9-17-15-4-2-3-14(16)13(15)8-11(10)7-12/h2-7,17H,8-9H2,1H3
InChIKeyGPVRDRGKZTZTPP-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine?
The IUPAC name of 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine (CID 164609525) is 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine.
What is the SMILES notation for 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine?
The canonical SMILES for 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine is COc1ccc2c(c1)Cc1c(F)cccc1NC2.
What is the InChIKey of 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine?
The InChIKey is GPVRDRGKZTZTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-18-12-6-5-10-9-17-15-4-2-3-14(16)13(15)8-11(10)7-12/h2-7,17H,8-9H2,1H3.
What are the key properties of 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine?
1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine has a molecular weight of 243.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-9-methoxy-6,11-dihydro-5H-benzo[c][1]benzazepine is sourced from PubChem (CID 164609525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).