N-(trifluoromethyl)dibenzofuran-3-amine

C13H8F3NO — CID 176550162

IUPACN-(trifluoromethyl)dibenzofuran-3-amine
SMILESFC(F)(F)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C13H8F3NO/c14-13(15,16)17-8-5-6-10-9-3-1-2-4-11(9)18-12(10)7-8/h1-7,17H
InChIKeyZMTVREWLIRRTSJ-UHFFFAOYSA-N
MW251.21 g/mol
LogP4.52
Rot. Bonds1

About N-(trifluoromethyl)dibenzofuran-3-amine

N-(trifluoromethyl)dibenzofuran-3-amine (PubChem CID 176550162) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is N-(trifluoromethyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)dibenzofuran-3-amine
PubChem CID176550162
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC NameN-(trifluoromethyl)dibenzofuran-3-amine
SMILESFC(F)(F)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C13H8F3NO/c14-13(15,16)17-8-5-6-10-9-3-1-2-4-11(9)18-12(10)7-8/h1-7,17H
InChIKeyZMTVREWLIRRTSJ-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
N-(4-propan-2-ylphenyl)dibenzofuran-3-amine
CID 130195251
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
N-[(4-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2966855
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;molecular hydrogen
CID 173065186

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)dibenzofuran-3-amine?
The IUPAC name of N-(trifluoromethyl)dibenzofuran-3-amine (CID 176550162) is N-(trifluoromethyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(trifluoromethyl)dibenzofuran-3-amine?
The canonical SMILES for N-(trifluoromethyl)dibenzofuran-3-amine is FC(F)(F)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-(trifluoromethyl)dibenzofuran-3-amine?
The InChIKey is ZMTVREWLIRRTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-13(15,16)17-8-5-6-10-9-3-1-2-4-11(9)18-12(10)7-8/h1-7,17H.
What are the key properties of N-(trifluoromethyl)dibenzofuran-3-amine?
N-(trifluoromethyl)dibenzofuran-3-amine has a molecular weight of 251.21 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)dibenzofuran-3-amine is sourced from PubChem (CID 176550162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).