2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine

C16H12F3NO2 — CID 117172336

IUPAC2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine
SMILESNc1cccc2oc(COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)10-4-6-11(7-5-10)21-9-12-8-13-14(20)2-1-3-15(13)22-12/h1-8H,9,20H2
InChIKeyWFFNXBCWKAZOIG-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.61
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine

2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine (PubChem CID 117172336) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine
PubChem CID117172336
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine
SMILESNc1cccc2oc(COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)10-4-6-11(7-5-10)21-9-12-8-13-14(20)2-1-3-15(13)22-12/h1-8H,9,20H2
InChIKeyWFFNXBCWKAZOIG-UHFFFAOYSA-N
XLogP4.61
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenoxy)methyl]-4-methyl-1-benzofuran
CID 117184713
3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-7-amine
CID 117181079
[2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 62441296
[2-(phenoxymethyl)-1-benzofuran-4-yl]methanamine
CID 117172164
4-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117184696
2-(phenoxymethyl)-1-benzofuran-4-carboxylic acid
CID 117172434
3-methyl-2-[4-(trifluoromethyl)phenoxy]aniline
CID 115550906
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
CID 117220491
N-methyl-1-[5-[[4-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62441293
3-[(4-fluoro-1-benzofuran-2-yl)methoxy]pyridine
CID 117172370
3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol
CID 117172173

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine?
The IUPAC name of 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine (CID 117172336) is 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine is Nc1cccc2oc(COc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine?
The InChIKey is WFFNXBCWKAZOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)10-4-6-11(7-5-10)21-9-12-8-13-14(20)2-1-3-15(13)22-12/h1-8H,9,20H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine?
2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine has a molecular weight of 307.27 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran-4-amine is sourced from PubChem (CID 117172336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).