4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

C12H15FN2 — CID 83820065

IUPAC4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
SMILESFc1cccc2c1NC(C1CC1)CCN2
InChIInChI=1S/C12H15FN2/c13-9-2-1-3-11-12(9)15-10(6-7-14-11)8-4-5-8/h1-3,8,10,14-15H,4-7H2
InChIKeyHMVMJVBSLXRQMJ-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.83
Rot. Bonds1

About 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine (PubChem CID 83820065) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
PubChem CID83820065
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
SMILESFc1cccc2c1NC(C1CC1)CCN2
InChIInChI=1S/C12H15FN2/c13-9-2-1-3-11-12(9)15-10(6-7-14-11)8-4-5-8/h1-3,8,10,14-15H,4-7H2
InChIKeyHMVMJVBSLXRQMJ-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The IUPAC name of 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine (CID 83820065) is 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The canonical SMILES for 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is Fc1cccc2c1NC(C1CC1)CCN2.
What is the InChIKey of 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
The InChIKey is HMVMJVBSLXRQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-9-2-1-3-11-12(9)15-10(6-7-14-11)8-4-5-8/h1-3,8,10,14-15H,4-7H2.
What are the key properties of 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?
4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine has a molecular weight of 206.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 83820065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).