2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine

C15H13FS — CID 70370195

IUPAC2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine
SMILESCC1c2ccccc2CSc2ccc(F)cc21
InChIInChI=1S/C15H13FS/c1-10-13-5-3-2-4-11(13)9-17-15-7-6-12(16)8-14(10)15/h2-8,10H,9H2,1H3
InChIKeyDKBIVBLIKXRJIK-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.58
Rot. Bonds

About 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine

2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine (PubChem CID 70370195) has the molecular formula C15H13FS and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine.

Molecular Properties

Compound Name2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine
PubChem CID70370195
Molecular FormulaC15H13FS
Molecular Weight244.33 g/mol
Exact Mass244.07
IUPAC Name2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine
SMILESCC1c2ccccc2CSc2ccc(F)cc21
InChIInChI=1S/C15H13FS/c1-10-13-5-3-2-4-11(13)9-17-15-7-6-12(16)8-14(10)15/h2-8,10H,9H2,1H3
InChIKeyDKBIVBLIKXRJIK-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine?
The IUPAC name of 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine (CID 70370195) is 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine.
What is the SMILES notation for 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine?
The canonical SMILES for 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine is CC1c2ccccc2CSc2ccc(F)cc21.
What is the InChIKey of 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine?
The InChIKey is DKBIVBLIKXRJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FS/c1-10-13-5-3-2-4-11(13)9-17-15-7-6-12(16)8-14(10)15/h2-8,10H,9H2,1H3.
What are the key properties of 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine?
2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine has a molecular weight of 244.33 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-11-methyl-6,11-dihydrobenzo[c][1]benzothiepine is sourced from PubChem (CID 70370195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).