8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine

C19H11F4NO — CID 22664015

IUPAC8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine
SMILESFc1ccc2oc3ccc(NCc4ccc(F)c(F)c4F)cc3c2c1
InChIInChI=1S/C19H11F4NO/c20-11-2-5-16-13(7-11)14-8-12(3-6-17(14)25-16)24-9-10-1-4-15(21)19(23)18(10)22/h1-8,24H,9H2
InChIKeyAPOLZTOIVPUUCK-UHFFFAOYSA-N
MW345.30 g/mol
LogP5.75
Rot. Bonds3

About 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine

8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine (PubChem CID 22664015) has the molecular formula C19H11F4NO and a molecular weight of 345.30 g/mol. Its IUPAC name is 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine.

Molecular Properties

Compound Name8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine
PubChem CID22664015
Molecular FormulaC19H11F4NO
Molecular Weight345.30 g/mol
Exact Mass345.08
IUPAC Name8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine
SMILESFc1ccc2oc3ccc(NCc4ccc(F)c(F)c4F)cc3c2c1
InChIInChI=1S/C19H11F4NO/c20-11-2-5-16-13(7-11)14-8-12(3-6-17(14)25-16)24-9-10-1-4-15(21)19(23)18(10)22/h1-8,24H,9H2
InChIKeyAPOLZTOIVPUUCK-UHFFFAOYSA-N
XLogP5.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.30
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22663940
N-[(2,5-dimethoxyphenyl)methyl]-8-fluorodibenzofuran-2-amine
CID 22664253
N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine
CID 22664064
8-chloro-N-[(2-methylphenyl)methyl]dibenzofuran-2-amine
CID 22663982
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
N-[(2-chlorophenyl)methyl]dibenzofuran-2-amine
CID 23521797
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline
CID 102615901
N-[(2,5-dimethylphenyl)methyl]dibenzofuran-2-amine
CID 22664248

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine?
The IUPAC name of 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine (CID 22664015) is 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine.
What is the SMILES notation for 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine?
The canonical SMILES for 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine is Fc1ccc2oc3ccc(NCc4ccc(F)c(F)c4F)cc3c2c1.
What is the InChIKey of 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine?
The InChIKey is APOLZTOIVPUUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4NO/c20-11-2-5-16-13(7-11)14-8-12(3-6-17(14)25-16)24-9-10-1-4-15(21)19(23)18(10)22/h1-8,24H,9H2.
What are the key properties of 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine?
8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine has a molecular weight of 345.30 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(2,3,4-trifluorophenyl)methyl]dibenzofuran-2-amine is sourced from PubChem (CID 22664015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).