7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

C10H10F2N2O — CID 83217685

IUPAC7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
SMILESCC1CNc2cc(F)c(F)cc2C(=O)N1
InChIInChI=1S/C10H10F2N2O/c1-5-4-13-9-3-8(12)7(11)2-6(9)10(15)14-5/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyWSYUXLBPUZICSD-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.51
Rot. Bonds

About 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one (PubChem CID 83217685) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one.

Molecular Properties

Compound Name7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
PubChem CID83217685
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
SMILESCC1CNc2cc(F)c(F)cc2C(=O)N1
InChIInChI=1S/C10H10F2N2O/c1-5-4-13-9-3-8(12)7(11)2-6(9)10(15)14-5/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyWSYUXLBPUZICSD-UHFFFAOYSA-N
XLogP1.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one?
The IUPAC name of 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one (CID 83217685) is 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one.
What is the SMILES notation for 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one?
The canonical SMILES for 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one is CC1CNc2cc(F)c(F)cc2C(=O)N1.
What is the InChIKey of 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one?
The InChIKey is WSYUXLBPUZICSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c1-5-4-13-9-3-8(12)7(11)2-6(9)10(15)14-5/h2-3,5,13H,4H2,1H3,(H,14,15).
What are the key properties of 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one?
7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one has a molecular weight of 212.20 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3-methyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one is sourced from PubChem (CID 83217685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).