(2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

C11H9BrFNO — CID 163371155

IUPAC(2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
SMILESO=C1NC[C@@]2(C[C@H]2F)c2cc(Br)ccc21
InChIInChI=1S/C11H9BrFNO/c12-6-1-2-7-8(3-6)11(4-9(11)13)5-14-10(7)15/h1-3,9H,4-5H2,(H,14,15)/t9-,11+/m1/s1
InChIKeyQNNORYMGSRVGNM-KOLCDFICSA-N
MW270.10 g/mol
LogP2.17
Rot. Bonds

About (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one

(2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one (PubChem CID 163371155) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name(2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
PubChem CID163371155
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name(2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
SMILESO=C1NC[C@@]2(C[C@H]2F)c2cc(Br)ccc21
InChIInChI=1S/C11H9BrFNO/c12-6-1-2-7-8(3-6)11(4-9(11)13)5-14-10(7)15/h1-3,9H,4-5H2,(H,14,15)/t9-,11+/m1/s1
InChIKeyQNNORYMGSRVGNM-KOLCDFICSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The IUPAC name of (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one (CID 163371155) is (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one.
What is the SMILES notation for (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The canonical SMILES for (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one is O=C1NC[C@@]2(C[C@H]2F)c2cc(Br)ccc21.
What is the InChIKey of (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
The InChIKey is QNNORYMGSRVGNM-KOLCDFICSA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-6-1-2-7-8(3-6)11(4-9(11)13)5-14-10(7)15/h1-3,9H,4-5H2,(H,14,15)/t9-,11+/m1/s1.
What are the key properties of (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one?
(2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one has a molecular weight of 270.10 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,4R)-6-bromo-2'-fluorospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one is sourced from PubChem (CID 163371155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).