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

C20H13F4NS — CID 134528026

IUPAC6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1C(F)(F)F)c1cccc2c1sc1c(F)cccc12
InChIInChI=1S/C20H13F4NS/c1-25(16-10-3-2-8-14(16)20(22,23)24)17-11-5-7-13-12-6-4-9-15(21)18(12)26-19(13)17/h2-11H,1H3
InChIKeyDJFYSTKDZDTSNN-UHFFFAOYSA-N
MW375.39 g/mol
LogP6.98
Rot. Bonds2

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

6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine (PubChem CID 134528026) has the molecular formula C20H13F4NS and a molecular weight of 375.39 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
PubChem CID134528026
Molecular FormulaC20H13F4NS
Molecular Weight375.39 g/mol
Exact Mass375.07
IUPAC Name6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
SMILESCN(c1ccccc1C(F)(F)F)c1cccc2c1sc1c(F)cccc12
InChIInChI=1S/C20H13F4NS/c1-25(16-10-3-2-8-14(16)20(22,23)24)17-11-5-7-13-12-6-4-9-15(21)18(12)26-19(13)17/h2-11H,1H3
InChIKeyDJFYSTKDZDTSNN-UHFFFAOYSA-N
XLogP6.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.39
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
CID 134528024
N-methyl-N-(2-propan-2-ylphenyl)-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 134528053
2-[(6-fluorodibenzothiophen-4-yl)-methylamino]benzonitrile
CID 134528028
N-(2-tert-butylphenyl)-N-methyl-6-trimethylsilyldibenzothiophen-4-amine
CID 140873324
N-(2-ethylphenyl)-N-iodo-6-(trifluoromethyl)dibenzothiophen-4-amine
CID 137416442
N-iodo-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine
CID 146857713
6-tert-butyl-N-(4-fluorophenyl)-N-methyldibenzothiophen-4-amine
CID 138652843
N-[2-[1-[3-[dibenzothiophen-4-yl(methyl)amino]-4-fluorophenyl]-2-methylpropan-2-yl]phenyl]-N-methyldibenzothiophen-4-amine
CID 134528558
2-[iodo-[6-(trifluoromethyl)dibenzothiophen-4-yl]amino]benzonitrile
CID 137416573
3-tert-butyl-4,6-difluorodibenzothiophene
CID 153242561
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
CID 134527975
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
CID 138651513

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine (CID 134528026) is 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine is CN(c1ccccc1C(F)(F)F)c1cccc2c1sc1c(F)cccc12.
What is the InChIKey of 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine?
The InChIKey is DJFYSTKDZDTSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NS/c1-25(16-10-3-2-8-14(16)20(22,23)24)17-11-5-7-13-12-6-4-9-15(21)18(12)26-19(13)17/h2-11H,1H3.
What are the key properties of 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine?
6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine has a molecular weight of 375.39 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 134528026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).