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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Related Compounds

8-fluoro-7H-pyrrolo[2,1-c][1,4]benzodiazepine
CID 18439640
2-Chloro-7-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
CID 140383449
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
2-fluoro-3-methyl-2H-quinazoline
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7-Chloro-6-fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
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2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
6-Fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
CID 151746725
1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 144796412
1-[5-fluoro-6-methylidene-1-(2-methylprop-1-enyl)-3-pyridinyl]-N-[(2Z)-3-methylpenta-2,4-dien-2-yl]ethanimine
CID 153383099
6-Chloro-4-methyl-2,3-dihydro-1,4-benzodiazepine
CID 53962886
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3-methyl-4H-1-benzazepine
CID 123517892

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).