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

C10H11FN2 — CID 151746725

IUPAC6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1C=c2c(F)cccc2=NCC1
InChIInChI=1S/C10H11FN2/c1-13-6-5-12-10-4-2-3-9(11)8(10)7-13/h2-4,7H,5-6H2,1H3
InChIKeyRNRACRIQXBOWOM-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.13
Rot. Bonds

About 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine

6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 151746725) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID151746725
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1C=c2c(F)cccc2=NCC1
InChIInChI=1S/C10H11FN2/c1-13-6-5-12-10-4-2-3-9(11)8(10)7-13/h2-4,7H,5-6H2,1H3
InChIKeyRNRACRIQXBOWOM-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 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine (CID 151746725) is 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine is CN1C=c2c(F)cccc2=NCC1.
What is the InChIKey of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is RNRACRIQXBOWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-13-6-5-12-10-4-2-3-9(11)8(10)7-13/h2-4,7H,5-6H2,1H3.
What are the key properties of 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine?
6-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 6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 151746725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).