1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one

C12H12F2N2O — CID 115510067

IUPAC1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESO=C1CCN(C2CC2)c2cc(F)cc(F)c2N1
InChIInChI=1S/C12H12F2N2O/c13-7-5-9(14)12-10(6-7)16(8-1-2-8)4-3-11(17)15-12/h5-6,8H,1-4H2,(H,15,17)
InChIKeyHNKOKBCUWJHZRD-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.28
Rot. Bonds1

About 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one

1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one (PubChem CID 115510067) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
PubChem CID115510067
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESO=C1CCN(C2CC2)c2cc(F)cc(F)c2N1
InChIInChI=1S/C12H12F2N2O/c13-7-5-9(14)12-10(6-7)16(8-1-2-8)4-3-11(17)15-12/h5-6,8H,1-4H2,(H,15,17)
InChIKeyHNKOKBCUWJHZRD-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The IUPAC name of 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one (CID 115510067) is 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one is O=C1CCN(C2CC2)c2cc(F)cc(F)c2N1.
What is the InChIKey of 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The InChIKey is HNKOKBCUWJHZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-7-5-9(14)12-10(6-7)16(8-1-2-8)4-3-11(17)15-12/h5-6,8H,1-4H2,(H,15,17).
What are the key properties of 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one has a molecular weight of 238.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 115510067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).