N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine

C21H13F6NO — CID 138651778

IUPACN-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
SMILESCN(c1ccc(C(F)(F)F)cc1)c1cccc2c1oc1c(C(F)(F)F)cccc12
InChIInChI=1S/C21H13F6NO/c1-28(13-10-8-12(9-11-13)20(22,23)24)17-7-3-5-15-14-4-2-6-16(21(25,26)27)18(14)29-19(15)17/h2-11H,1H3
InChIKeyPWBHPDDVRRVEAD-UHFFFAOYSA-N
MW409.33 g/mol
LogP7.39
Rot. Bonds2

About N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine

N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine (PubChem CID 138651778) has the molecular formula C21H13F6NO and a molecular weight of 409.33 g/mol. Its IUPAC name is N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
PubChem CID138651778
Molecular FormulaC21H13F6NO
Molecular Weight409.33 g/mol
Exact Mass409.09
IUPAC NameN-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
SMILESCN(c1ccc(C(F)(F)F)cc1)c1cccc2c1oc1c(C(F)(F)F)cccc12
InChIInChI=1S/C21H13F6NO/c1-28(13-10-8-12(9-11-13)20(22,23)24)17-7-3-5-15-14-4-2-6-16(21(25,26)27)18(14)29-19(15)17/h2-11H,1H3
InChIKeyPWBHPDDVRRVEAD-UHFFFAOYSA-N
XLogP7.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 137416728
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
CID 134527975
N-(4-tert-butylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138652817
N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane
CID 144918654
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
CID 138456794
6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
CID 140873226
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978
6-tert-butyl-N-(2-ethylphenyl)-N-methyldibenzofuran-4-amine
CID 134527976

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine (CID 138651778) is N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine is CN(c1ccc(C(F)(F)F)cc1)c1cccc2c1oc1c(C(F)(F)F)cccc12.
What is the InChIKey of N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The InChIKey is PWBHPDDVRRVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6NO/c1-28(13-10-8-12(9-11-13)20(22,23)24)17-7-3-5-15-14-4-2-6-16(21(25,26)27)18(14)29-19(15)17/h2-11H,1H3.
What are the key properties of N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine has a molecular weight of 409.33 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 138651778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).