N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine

C21H13F6NO2 — CID 134527993

IUPACN-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1oc1c(C(F)(F)F)cccc12
InChIInChI=1S/C21H13F6NO2/c1-28(15-9-2-3-11-17(15)30-21(25,26)27)16-10-5-7-13-12-6-4-8-14(20(22,23)24)18(12)29-19(13)16/h2-11H,1H3
InChIKeyDWQZDEWYGWFJTF-UHFFFAOYSA-N
MW425.33 g/mol
LogP7.27
Rot. Bonds3

About N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine

N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine (PubChem CID 134527993) has the molecular formula C21H13F6NO2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
PubChem CID134527993
Molecular FormulaC21H13F6NO2
Molecular Weight425.33 g/mol
Exact Mass425.09
IUPAC NameN-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1oc1c(C(F)(F)F)cccc12
InChIInChI=1S/C21H13F6NO2/c1-28(15-9-2-3-11-17(15)30-21(25,26)27)16-10-5-7-13-12-6-4-8-14(20(22,23)24)18(12)29-19(13)16/h2-11H,1H3
InChIKeyDWQZDEWYGWFJTF-UHFFFAOYSA-N
XLogP7.27
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 134527961
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
CID 134527975
6-tert-butyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527978
N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137415998
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
6-tert-butyl-N-methyl-N-(2-trimethylsilylphenyl)dibenzofuran-4-amine
CID 140873226
6-[N-iodo-2-(trifluoromethoxy)anilino]dibenzofuran-4-carbonitrile
CID 137416461
6-fluoro-N-methyl-N-(2-methylphenyl)dibenzofuran-4-amine
CID 134527955
N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane
CID 144918654

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine?
The IUPAC name of N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine (CID 134527993) is N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine.
What is the SMILES notation for N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine?
The canonical SMILES for N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine is CN(c1ccccc1OC(F)(F)F)c1cccc2c1oc1c(C(F)(F)F)cccc12.
What is the InChIKey of N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine?
The InChIKey is DWQZDEWYGWFJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6NO2/c1-28(15-9-2-3-11-17(15)30-21(25,26)27)16-10-5-7-13-12-6-4-8-14(20(22,23)24)18(12)29-19(13)16/h2-11H,1H3.
What are the key properties of N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine?
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine has a molecular weight of 425.33 g/mol, XLogP of 7.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine is sourced from PubChem (CID 134527993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).