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

C14H15BrF2N2O2 — CID 71059649

IUPAC(4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine
SMILESCC1(C)C[C@@]2(N=C(N)OCC2(F)F)c2cc(Br)ccc2O1
InChIInChI=1S/C14H15BrF2N2O2/c1-12(2)6-13(14(16,17)7-20-11(18)19-13)9-5-8(15)3-4-10(9)21-12/h3-5H,6-7H2,1-2H3,(H2,18,19)/t13-/m1/s1
InChIKeyXSDCPIGUEPSZBN-CYBMUJFWSA-N
MW361.19 g/mol
LogP3.19
Rot. Bonds

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

(4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine (PubChem CID 71059649) has the molecular formula C14H15BrF2N2O2 and a molecular weight of 361.19 g/mol. Its IUPAC name is (4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine.

Molecular Properties

Compound Name(4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine
PubChem CID71059649
Molecular FormulaC14H15BrF2N2O2
Molecular Weight361.19 g/mol
Exact Mass360.03
IUPAC Name(4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine
SMILESCC1(C)C[C@@]2(N=C(N)OCC2(F)F)c2cc(Br)ccc2O1
InChIInChI=1S/C14H15BrF2N2O2/c1-12(2)6-13(14(16,17)7-20-11(18)19-13)9-5-8(15)3-4-10(9)21-12/h3-5H,6-7H2,1-2H3,(H2,18,19)/t13-/m1/s1
InChIKeyXSDCPIGUEPSZBN-CYBMUJFWSA-N
XLogP3.19
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 53.19
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-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine?
The IUPAC name of (4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine (CID 71059649) is (4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine.
What is the SMILES notation for (4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine?
The canonical SMILES for (4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine is CC1(C)C[C@@]2(N=C(N)OCC2(F)F)c2cc(Br)ccc2O1.
What is the InChIKey of (4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine?
The InChIKey is XSDCPIGUEPSZBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15BrF2N2O2/c1-12(2)6-13(14(16,17)7-20-11(18)19-13)9-5-8(15)3-4-10(9)21-12/h3-5H,6-7H2,1-2H3,(H2,18,19)/t13-/m1/s1.
What are the key properties of (4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine?
(4R)-6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine has a molecular weight of 361.19 g/mol, XLogP of 3.19, 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'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine is sourced from PubChem (CID 71059649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).