6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine

C11H14F2N2 — CID 84621646

IUPAC6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESCC1CCN(C)c2cc(F)cc(F)c2N1
InChIInChI=1S/C11H14F2N2/c1-7-3-4-15(2)10-6-8(12)5-9(13)11(10)14-7/h5-7,14H,3-4H2,1-2H3
InChIKeyYVJBSFBWFVBKTA-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.61
Rot. Bonds

About 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine

6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine (PubChem CID 84621646) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
PubChem CID84621646
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine
SMILESCC1CCN(C)c2cc(F)cc(F)c2N1
InChIInChI=1S/C11H14F2N2/c1-7-3-4-15(2)10-6-8(12)5-9(13)11(10)14-7/h5-7,14H,3-4H2,1-2H3
InChIKeyYVJBSFBWFVBKTA-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-difluoro-2,3,4-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84621651
6,8-difluoro-3,3,4-trimethyl-1,2-dihydroquinoxaline
CID 84621650
1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115510067
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 55119359
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 58808079
5,7-difluoro-3-methyl-2,3-dihydro-1H-indole
CID 106986066
2-methyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64930528
2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 115507010
4,6-difluoro-1-[(2S,3S)-2-methyloxolan-3-yl]sulfonyl-2,3-dihydroindole
CID 124861706
3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84625224
1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 62809520
7-fluoro-4-methyl-2,3-dihydro-1H-quinoxaline
CID 11961604

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine (CID 84621646) is 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine is CC1CCN(C)c2cc(F)cc(F)c2N1.
What is the InChIKey of 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is YVJBSFBWFVBKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-7-3-4-15(2)10-6-8(12)5-9(13)11(10)14-7/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine?
6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 212.24 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1,4-dimethyl-2,3,4,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 84621646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).