7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine

C10H11FN2 — CID 150629106

IUPAC7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1C=c2cc(F)ccc2=NCC1
InChIInChI=1S/C10H11FN2/c1-13-5-4-12-10-3-2-9(11)6-8(10)7-13/h2-3,6-7H,4-5H2,1H3
InChIKeyIXMTWLGRIHKLOT-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.13
Rot. Bonds

About 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine

7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 150629106) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID150629106
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1C=c2cc(F)ccc2=NCC1
InChIInChI=1S/C10H11FN2/c1-13-5-4-12-10-3-2-9(11)6-8(10)7-13/h2-3,6-7H,4-5H2,1H3
InChIKeyIXMTWLGRIHKLOT-UHFFFAOYSA-N
XLogP0.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine (CID 150629106) is 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine is CN1C=c2cc(F)ccc2=NCC1.
What is the InChIKey of 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is IXMTWLGRIHKLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-13-5-4-12-10-3-2-9(11)6-8(10)7-13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 178.21 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 150629106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).