7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine

C12H8F2N2 — CID 157211132

IUPAC7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESFC1=C(F)C2=CN=c3ccccc3=CN2C1
InChIInChI=1S/C12H8F2N2/c13-9-7-16-6-8-3-1-2-4-10(8)15-5-11(16)12(9)14/h1-6H,7H2
InChIKeyARWZYJBDAFCAPW-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.37
Rot. Bonds

About 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine

7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine (PubChem CID 157211132) has the molecular formula C12H8F2N2 and a molecular weight of 218.21 g/mol. Its IUPAC name is 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine
PubChem CID157211132
Molecular FormulaC12H8F2N2
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESFC1=C(F)C2=CN=c3ccccc3=CN2C1
InChIInChI=1S/C12H8F2N2/c13-9-7-16-6-8-3-1-2-4-10(8)15-5-11(16)12(9)14/h1-6H,7H2
InChIKeyARWZYJBDAFCAPW-UHFFFAOYSA-N
XLogP1.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine (CID 157211132) is 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine is FC1=C(F)C2=CN=c3ccccc3=CN2C1.
What is the InChIKey of 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The InChIKey is ARWZYJBDAFCAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2/c13-9-7-16-6-8-3-1-2-4-10(8)15-5-11(16)12(9)14/h1-6H,7H2.
What are the key properties of 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine?
7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine has a molecular weight of 218.21 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-9H-pyrrolo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 157211132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).