(7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine

C12H11BrFNO — CID 65439100

IUPAC(7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine
SMILESNC(c1cc2cc(F)cc(Br)c2o1)C1CC1
InChIInChI=1S/C12H11BrFNO/c13-9-5-8(14)3-7-4-10(16-12(7)9)11(15)6-1-2-6/h3-6,11H,1-2,15H2
InChIKeyIWIHFDXGKVKGAG-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.74
Rot. Bonds2

About (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine

(7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine (PubChem CID 65439100) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine
PubChem CID65439100
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name(7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine
SMILESNC(c1cc2cc(F)cc(Br)c2o1)C1CC1
InChIInChI=1S/C12H11BrFNO/c13-9-5-8(14)3-7-4-10(16-12(7)9)11(15)6-1-2-6/h3-6,11H,1-2,15H2
InChIKeyIWIHFDXGKVKGAG-UHFFFAOYSA-N
XLogP3.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine?
The IUPAC name of (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine (CID 65439100) is (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine.
What is the SMILES notation for (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine?
The canonical SMILES for (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine is NC(c1cc2cc(F)cc(Br)c2o1)C1CC1.
What is the InChIKey of (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine?
The InChIKey is IWIHFDXGKVKGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c13-9-5-8(14)3-7-4-10(16-12(7)9)11(15)6-1-2-6/h3-6,11H,1-2,15H2.
What are the key properties of (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine?
(7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine has a molecular weight of 284.13 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-5-fluoro-1-benzofuran-2-yl)-cyclopropylmethanamine is sourced from PubChem (CID 65439100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).