6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine

C11H15FN2 — CID 130526508

IUPAC6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
SMILESCC1(C)CCNc2cccc(F)c2N1
InChIInChI=1S/C11H15FN2/c1-11(2)6-7-13-9-5-3-4-8(12)10(9)14-11/h3-5,13-14H,6-7H2,1-2H3
InChIKeyPZUSRDJSCFIYCT-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.83
Rot. Bonds

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

6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine (PubChem CID 130526508) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
PubChem CID130526508
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
SMILESCC1(C)CCNc2cccc(F)c2N1
InChIInChI=1S/C11H15FN2/c1-11(2)6-7-13-9-5-3-4-8(12)10(9)14-11/h3-5,13-14H,6-7H2,1-2H3
InChIKeyPZUSRDJSCFIYCT-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline
CID 84718702
6-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290409
7-bromo-8-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 116739886
4-fluoro-2,2-dimethyl-1,3-dihydroindole
CID 84717067
4-cyclopropyl-6-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 83820065
3-(2,6-difluorophenyl)-2,2,3-trimethylpyrrolidine
CID 62354191
6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
CID 115554350
6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115099075
7-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701783
6-methylspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115554372
7,8-dimethoxy-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 83002503
2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline
CID 84720107

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine (CID 130526508) is 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine is CC1(C)CCNc2cccc(F)c2N1.
What is the InChIKey of 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine?
The InChIKey is PZUSRDJSCFIYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-11(2)6-7-13-9-5-3-4-8(12)10(9)14-11/h3-5,13-14H,6-7H2,1-2H3.
What are the key properties of 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine?
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine has a molecular weight of 194.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 130526508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).