6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile

C21H13F3N2O — CID 134527975

IUPAC6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
SMILESCN(c1ccccc1C(F)(F)F)c1cccc2c1oc1c(C#N)cccc12
InChIInChI=1S/C21H13F3N2O/c1-26(17-10-3-2-9-16(17)21(22,23)24)18-11-5-8-15-14-7-4-6-13(12-25)19(14)27-20(15)18/h2-11H,1H3
InChIKeyNHKYCMGOECHSQI-UHFFFAOYSA-N
MW366.34 g/mol
LogP6.24
Rot. Bonds2

About 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile

6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile (PubChem CID 134527975) has the molecular formula C21H13F3N2O and a molecular weight of 366.34 g/mol. Its IUPAC name is 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
PubChem CID134527975
Molecular FormulaC21H13F3N2O
Molecular Weight366.34 g/mol
Exact Mass366.10
IUPAC Name6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
SMILESCN(c1ccccc1C(F)(F)F)c1cccc2c1oc1c(C#N)cccc12
InChIInChI=1S/C21H13F3N2O/c1-26(17-10-3-2-9-16(17)21(22,23)24)18-11-5-8-15-14-7-4-6-13(12-25)19(14)27-20(15)18/h2-11H,1H3
InChIKeyNHKYCMGOECHSQI-UHFFFAOYSA-N
XLogP6.24
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-tert-butyl-N-iodoanilino)dibenzofuran-4-carbonitrile
CID 137416092
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
6-[N-iodo-2-(trifluoromethoxy)anilino]dibenzofuran-4-carbonitrile
CID 137416461
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
6-(N-iodo-4-methylanilino)dibenzofuran-4-carbonitrile
CID 137416012
3-(trifluoromethyl)-1-benzofuran-7-carbonitrile
CID 166609327
N-(2-tert-butylphenyl)-N-methyldibenzofuran-4-amine;2-[dibenzofuran-4-yl(methyl)amino]benzonitrile;N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine;N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine;N-methyl-N-(2-methylphenyl)dibenzofuran-4-amine;N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine;N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine;N-methyl-N-[2-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 161480627
6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
CID 140873226
6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
CID 134527976
6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 134527961

Frequently Asked Questions

What is the IUPAC name of 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile?
The IUPAC name of 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile (CID 134527975) is 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile.
What is the SMILES notation for 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile?
The canonical SMILES for 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile is CN(c1ccccc1C(F)(F)F)c1cccc2c1oc1c(C#N)cccc12.
What is the InChIKey of 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile?
The InChIKey is NHKYCMGOECHSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O/c1-26(17-10-3-2-9-16(17)21(22,23)24)18-11-5-8-15-14-7-4-6-13(12-25)19(14)27-20(15)18/h2-11H,1H3.
What are the key properties of 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile?
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile has a molecular weight of 366.34 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile is sourced from PubChem (CID 134527975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).