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

C18H15BrF2N2O2 — CID 71077771

IUPAC(4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine
SMILESNC1=NCC(F)(F)[C@]2(CC(c3ccccc3)Oc3ccc(Br)cc32)O1
InChIInChI=1S/C18H15BrF2N2O2/c19-12-6-7-14-13(8-12)17(18(20,21)10-23-16(22)25-17)9-15(24-14)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H2,22,23)/t15?,17-/m1/s1
InChIKeyLXQRQXFXJPRRSQ-OMOCHNIRSA-N
MW409.23 g/mol
LogP4.15
Rot. Bonds1

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

(4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine (PubChem CID 71077771) has the molecular formula C18H15BrF2N2O2 and a molecular weight of 409.23 g/mol. Its IUPAC name is (4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine.

Molecular Properties

Compound Name(4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine
PubChem CID71077771
Molecular FormulaC18H15BrF2N2O2
Molecular Weight409.23 g/mol
Exact Mass408.03
IUPAC Name(4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine
SMILESNC1=NCC(F)(F)[C@]2(CC(c3ccccc3)Oc3ccc(Br)cc32)O1
InChIInChI=1S/C18H15BrF2N2O2/c19-12-6-7-14-13(8-12)17(18(20,21)10-23-16(22)25-17)9-15(24-14)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H2,22,23)/t15?,17-/m1/s1
InChIKeyLXQRQXFXJPRRSQ-OMOCHNIRSA-N
XLogP4.15
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine?
The IUPAC name of (4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine (CID 71077771) is (4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine.
What is the SMILES notation for (4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine?
The canonical SMILES for (4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine is NC1=NCC(F)(F)[C@]2(CC(c3ccccc3)Oc3ccc(Br)cc32)O1.
What is the InChIKey of (4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine?
The InChIKey is LXQRQXFXJPRRSQ-OMOCHNIRSA-N. The full InChI is InChI=1S/C18H15BrF2N2O2/c19-12-6-7-14-13(8-12)17(18(20,21)10-23-16(22)25-17)9-15(24-14)11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H2,22,23)/t15?,17-/m1/s1.
What are the key properties of (4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine?
(4R)-6-bromo-5',5'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine has a molecular weight of 409.23 g/mol, XLogP of 4.15, 1 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'-difluoro-2-phenylspiro[2,3-dihydrochromene-4,6'-4H-1,3-oxazine]-2'-amine is sourced from PubChem (CID 71077771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).