7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine

C14H10ClFS — CID 134384970

IUPAC7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine
SMILESFc1cccc2c1SCc1c(Cl)cccc1C2
InChIInChI=1S/C14H10ClFS/c15-12-5-1-3-9-7-10-4-2-6-13(16)14(10)17-8-11(9)12/h1-6H,7-8H2
InChIKeyBPDLXQWKROSRMQ-UHFFFAOYSA-N
MW264.75 g/mol
LogP4.68
Rot. Bonds

About 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine

7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine (PubChem CID 134384970) has the molecular formula C14H10ClFS and a molecular weight of 264.75 g/mol. Its IUPAC name is 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine.

Molecular Properties

Compound Name7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine
PubChem CID134384970
Molecular FormulaC14H10ClFS
Molecular Weight264.75 g/mol
Exact Mass264.02
IUPAC Name7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine
SMILESFc1cccc2c1SCc1c(Cl)cccc1C2
InChIInChI=1S/C14H10ClFS/c15-12-5-1-3-9-7-10-4-2-6-13(16)14(10)17-8-11(9)12/h1-6H,7-8H2
InChIKeyBPDLXQWKROSRMQ-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The IUPAC name of 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine (CID 134384970) is 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine.
What is the SMILES notation for 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The canonical SMILES for 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine is Fc1cccc2c1SCc1c(Cl)cccc1C2.
What is the InChIKey of 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The InChIKey is BPDLXQWKROSRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFS/c15-12-5-1-3-9-7-10-4-2-6-13(16)14(10)17-8-11(9)12/h1-6H,7-8H2.
What are the key properties of 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine?
7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine has a molecular weight of 264.75 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-fluoro-6,11-dihydrobenzo[c][1]benzothiepine is sourced from PubChem (CID 134384970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).