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

C20H13F4NO2 — CID 134527961

IUPAC6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1oc1c(F)cccc12
InChIInChI=1S/C20H13F4NO2/c1-25(15-9-2-3-11-17(15)27-20(22,23)24)16-10-5-7-13-12-6-4-8-14(21)18(12)26-19(13)16/h2-11H,1H3
InChIKeyNRDYOQSUKBXBIX-UHFFFAOYSA-N
MW375.32 g/mol
LogP6.39
Rot. Bonds3

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

6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine (PubChem CID 134527961) has the molecular formula C20H13F4NO2 and a molecular weight of 375.32 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
PubChem CID134527961
Molecular FormulaC20H13F4NO2
Molecular Weight375.32 g/mol
Exact Mass375.09
IUPAC Name6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
SMILESCN(c1ccccc1OC(F)(F)F)c1cccc2c1oc1c(F)cccc12
InChIInChI=1S/C20H13F4NO2/c1-25(15-9-2-3-11-17(15)27-20(22,23)24)16-10-5-7-13-12-6-4-8-14(21)18(12)26-19(13)16/h2-11H,1H3
InChIKeyNRDYOQSUKBXBIX-UHFFFAOYSA-N
XLogP6.39
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.32
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993
6-fluoro-N-methyl-N-(2-methylphenyl)dibenzofuran-4-amine
CID 134527955
N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
CID 134527957
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527943
N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137415998
6-ethyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138652786
6-[N-iodo-2-(trifluoromethoxy)anilino]dibenzofuran-4-carbonitrile
CID 137416461
6-cyclohexyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527994
[2-fluoro-6-(trifluoromethoxy)phenyl]-trimethylsilane
CID 130887483
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
CID 134527975

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine (CID 134527961) is 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine is CN(c1ccccc1OC(F)(F)F)c1cccc2c1oc1c(F)cccc12.
What is the InChIKey of 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine?
The InChIKey is NRDYOQSUKBXBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4NO2/c1-25(15-9-2-3-11-17(15)27-20(22,23)24)16-10-5-7-13-12-6-4-8-14(21)18(12)26-19(13)16/h2-11H,1H3.
What are the key properties of 6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine?
6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine has a molecular weight of 375.32 g/mol, XLogP of 6.39, 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]dibenzofuran-4-amine is sourced from PubChem (CID 134527961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).