3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine

C12H14F3NO — CID 117199241

IUPAC3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine
SMILESNCCCC1COc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H14F3NO/c13-12(14,15)9-4-1-5-10-11(9)8(7-17-10)3-2-6-16/h1,4-5,8H,2-3,6-7,16H2
InChIKeyUVIJISUSMZZGQA-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.92
Rot. Bonds3

About 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine

3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine (PubChem CID 117199241) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine
PubChem CID117199241
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine
SMILESNCCCC1COc2cccc(C(F)(F)F)c21
InChIInChI=1S/C12H14F3NO/c13-12(14,15)9-4-1-5-10-11(9)8(7-17-10)3-2-6-16/h1,4-5,8H,2-3,6-7,16H2
InChIKeyUVIJISUSMZZGQA-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-1-amine
CID 117199340
2-methyl-2-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 117199246
2-[1-ethyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 117199387
3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane
CID 156843641
1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
CID 117199656
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226019
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061053
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
2-[2-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine
CID 115061168
2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine?
The IUPAC name of 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine (CID 117199241) is 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine?
The canonical SMILES for 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine is NCCCC1COc2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine?
The InChIKey is UVIJISUSMZZGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)9-4-1-5-10-11(9)8(7-17-10)3-2-6-16/h1,4-5,8H,2-3,6-7,16H2.
What are the key properties of 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine?
3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine is sourced from PubChem (CID 117199241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).