6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

C20H13F4NOS — CID 134528027

IUPAC6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(F)cccc12
InChIInChI=1S/C20H13F4NOS/c1-25(15-9-2-3-11-17(15)26-20(22,23)24)16-10-5-7-13-12-6-4-8-14(21)18(12)27-19(13)16/h2-11H,1H3
InChIKeyZOYHTKCEBLXEBO-UHFFFAOYSA-N
MW391.39 g/mol
LogP6.86
Rot. Bonds3

About 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine

6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (PubChem CID 134528027) has the molecular formula C20H13F4NOS and a molecular weight of 391.39 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
PubChem CID134528027
Molecular FormulaC20H13F4NOS
Molecular Weight391.39 g/mol
Exact Mass391.07
IUPAC Name6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(F)cccc12
InChIInChI=1S/C20H13F4NOS/c1-25(15-9-2-3-11-17(15)26-20(22,23)24)16-10-5-7-13-12-6-4-8-14(21)18(12)27-19(13)16/h2-11H,1H3
InChIKeyZOYHTKCEBLXEBO-UHFFFAOYSA-N
XLogP6.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine (CID 134528027) is 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(F)cccc12.
What is the InChIKey of 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
The InChIKey is ZOYHTKCEBLXEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NOS/c1-25(15-9-2-3-11-17(15)26-20(22,23)24)16-10-5-7-13-12-6-4-8-14(21)18(12)27-19(13)16/h2-11H,1H3.
What are the key properties of 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine?
6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine has a molecular weight of 391.39 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 134528027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).