(4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine

C12H11BrF2N2O2 — CID 71077770

IUPAC(4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine
SMILESNC1=NCC(F)(F)[C@]2(CCOc3ccc(Br)cc32)O1
InChIInChI=1S/C12H11BrF2N2O2/c13-7-1-2-9-8(5-7)11(3-4-18-9)12(14,15)6-17-10(16)19-11/h1-2,5H,3-4,6H2,(H2,16,17)/t11-/m1/s1
InChIKeyUZEDUPVXFIEGBJ-LLVKDONJSA-N
MW333.13 g/mol
LogP2.41
Rot. Bonds

About (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine

(4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine (PubChem CID 71077770) has the molecular formula C12H11BrF2N2O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine.

Molecular Properties

Compound Name(4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine
PubChem CID71077770
Molecular FormulaC12H11BrF2N2O2
Molecular Weight333.13 g/mol
Exact Mass332.00
IUPAC Name(4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine
SMILESNC1=NCC(F)(F)[C@]2(CCOc3ccc(Br)cc32)O1
InChIInChI=1S/C12H11BrF2N2O2/c13-7-1-2-9-8(5-7)11(3-4-18-9)12(14,15)6-17-10(16)19-11/h1-2,5H,3-4,6H2,(H2,16,17)/t11-/m1/s1
InChIKeyUZEDUPVXFIEGBJ-LLVKDONJSA-N
XLogP2.41
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine?
The IUPAC name of (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine (CID 71077770) is (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine.
What is the SMILES notation for (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine?
The canonical SMILES for (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine is NC1=NCC(F)(F)[C@]2(CCOc3ccc(Br)cc32)O1.
What is the InChIKey of (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine?
The InChIKey is UZEDUPVXFIEGBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11BrF2N2O2/c13-7-1-2-9-8(5-7)11(3-4-18-9)12(14,15)6-17-10(16)19-11/h1-2,5H,3-4,6H2,(H2,16,17)/t11-/m1/s1.
What are the key properties of (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine?
(4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine has a molecular weight of 333.13 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-5',5'-difluorospiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine is sourced from PubChem (CID 71077770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).