2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine

C16H14F3N3O2 — CID 110050328

IUPAC2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine
SMILESN/C(=N\C1COc2ccccc21)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)24-14-8-4-2-6-11(14)21-15(20)22-12-9-23-13-7-3-1-5-10(12)13/h1-8,12H,9H2,(H3,20,21,22)
InChIKeyHVSJKQOATIPFCB-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.45
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine

2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine (PubChem CID 110050328) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine
PubChem CID110050328
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine
SMILESN/C(=N\C1COc2ccccc21)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)24-14-8-4-2-6-11(14)21-15(20)22-12-9-23-13-7-3-1-5-10(12)13/h1-8,12H,9H2,(H3,20,21,22)
InChIKeyHVSJKQOATIPFCB-UHFFFAOYSA-N
XLogP3.45
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-yl)-1-phenylguanidine;hydroiodide
CID 111337650
2-(3,3-difluorocyclobutyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 120514508
2-[(2,5-dimethyloxolan-3-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 122099258
2-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl-1-[2-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 109378062
2-(2,3-dihydro-1-benzofuran-3-yl)-1-(6-methylheptan-2-yl)guanidine
CID 110050348
2-(cyclohex-3-en-1-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 119955491
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955496
2-(4-propan-2-yloxybutyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 110029210
2-[3-(oxan-2-yl)propyl]-1-[2-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110033320
2-[(1,4-dimethylpiperazin-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955508
4-[2-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60897536
N-iodo-2-(trifluoromethoxy)aniline
CID 145093219

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine (CID 110050328) is 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine is N/C(=N\C1COc2ccccc21)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine?
The InChIKey is HVSJKQOATIPFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)24-14-8-4-2-6-11(14)21-15(20)22-12-9-23-13-7-3-1-5-10(12)13/h1-8,12H,9H2,(H3,20,21,22).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine?
2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine has a molecular weight of 337.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-yl)-1-[2-(trifluoromethoxy)phenyl]guanidine is sourced from PubChem (CID 110050328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).