7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

C11H13ClFN — CID 67207981

IUPAC7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCN1CCc2cc(F)c(Cl)cc2CC1
InChIInChI=1S/C11H13ClFN/c1-14-4-2-8-6-10(12)11(13)7-9(8)3-5-14/h6-7H,2-5H2,1H3
InChIKeyYRFLIGVZHNNSEB-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.51
Rot. Bonds

About 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine

7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 67207981) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID67207981
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCN1CCc2cc(F)c(Cl)cc2CC1
InChIInChI=1S/C11H13ClFN/c1-14-4-2-8-6-10(12)11(13)7-9(8)3-5-14/h6-7H,2-5H2,1H3
InChIKeyYRFLIGVZHNNSEB-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11658860
Lorcaserin Hydrochloride
CID 11673085
Skf 86466
CID 123981
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2-Chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14)-triene
CID 125570
6-Chloro-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 13392482
8-Chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9990808
8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine
CID 10465263
7-chloro-6-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11264345
4-Chloro-11-methyl-11-azatricyclo[7.4.1.05,14]tetradeca-1(14),2,4-triene
CID 14822711
7-Chloro-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 17954204
7-Chloro-1-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine
CID 22292784

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine (CID 67207981) is 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine is CN1CCc2cc(F)c(Cl)cc2CC1.
What is the InChIKey of 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is YRFLIGVZHNNSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-14-4-2-8-6-10(12)11(13)7-9(8)3-5-14/h6-7H,2-5H2,1H3.
What are the key properties of 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine?
7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 213.68 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 67207981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).