8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine

C12H10FNO — CID 137388912

IUPAC8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine
SMILESFc1ccc2c(c1)NCCc1ccoc1-2
InChIInChI=1S/C12H10FNO/c13-9-1-2-10-11(7-9)14-5-3-8-4-6-15-12(8)10/h1-2,4,6-7,14H,3,5H2
InChIKeyVPBXOFCMRPMEBB-UHFFFAOYSA-N
MW203.22 g/mol
LogP3.05
Rot. Bonds

About 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine

8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine (PubChem CID 137388912) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine.

Molecular Properties

Compound Name8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine
PubChem CID137388912
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine
SMILESFc1ccc2c(c1)NCCc1ccoc1-2
InChIInChI=1S/C12H10FNO/c13-9-1-2-10-11(7-9)14-5-3-8-4-6-15-12(8)10/h1-2,4,6-7,14H,3,5H2
InChIKeyVPBXOFCMRPMEBB-UHFFFAOYSA-N
XLogP3.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine?
The IUPAC name of 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine (CID 137388912) is 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine.
What is the SMILES notation for 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine?
The canonical SMILES for 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine is Fc1ccc2c(c1)NCCc1ccoc1-2.
What is the InChIKey of 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine?
The InChIKey is VPBXOFCMRPMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c13-9-1-2-10-11(7-9)14-5-3-8-4-6-15-12(8)10/h1-2,4,6-7,14H,3,5H2.
What are the key properties of 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine?
8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine has a molecular weight of 203.22 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5,6-dihydro-4H-furo[3,2-d][1]benzazepine is sourced from PubChem (CID 137388912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).