[1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine

C12H12FNO — CID 117293381

IUPAC[1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine
SMILESNCC1(c2c(F)ccc3occc23)CC1
InChIInChI=1S/C12H12FNO/c13-9-1-2-10-8(3-6-15-10)11(9)12(7-14)4-5-12/h1-3,6H,4-5,7,14H2
InChIKeyGDOLGYCSSKVTGL-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.56
Rot. Bonds2

About [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine

[1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine (PubChem CID 117293381) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine
PubChem CID117293381
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name[1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine
SMILESNCC1(c2c(F)ccc3occc23)CC1
InChIInChI=1S/C12H12FNO/c13-9-1-2-10-8(3-6-15-10)11(9)12(7-14)4-5-12/h1-3,6H,4-5,7,14H2
InChIKeyGDOLGYCSSKVTGL-UHFFFAOYSA-N
XLogP2.56
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine (CID 117293381) is [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine is NCC1(c2c(F)ccc3occc23)CC1.
What is the InChIKey of [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine?
The InChIKey is GDOLGYCSSKVTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-9-1-2-10-8(3-6-15-10)11(9)12(7-14)4-5-12/h1-3,6H,4-5,7,14H2.
What are the key properties of [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine?
[1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine has a molecular weight of 205.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1-benzofuran-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 117293381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).