8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine

C9H9FN2 — CID 150892057

IUPAC8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFc1ccc2c(c1)NCCN=C2
InChIInChI=1S/C9H9FN2/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5-6,12H,3-4H2
InChIKeyKYFHBAUBKXBFKS-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.67
Rot. Bonds

About 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine

8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 150892057) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID150892057
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFc1ccc2c(c1)NCCN=C2
InChIInChI=1S/C9H9FN2/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5-6,12H,3-4H2
InChIKeyKYFHBAUBKXBFKS-UHFFFAOYSA-N
XLogP1.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine (CID 150892057) is 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine is Fc1ccc2c(c1)NCCN=C2.
What is the InChIKey of 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is KYFHBAUBKXBFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5-6,12H,3-4H2.
What are the key properties of 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine?
8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 164.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 150892057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).