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

C14H15BrF2N2O2 — CID 71059650

IUPAC6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine
SMILESCC1(C)CC2(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)
InChIKeyXSDCPIGUEPSZBN-UHFFFAOYSA-N
MW361.19 g/mol
LogP3.19
Rot. Bonds

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

6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine (PubChem CID 71059650) has the molecular formula C14H15BrF2N2O2 and a molecular weight of 361.19 g/mol. Its IUPAC name is 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine.

Molecular Properties

Compound Name6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine
PubChem CID71059650
Molecular FormulaC14H15BrF2N2O2
Molecular Weight361.19 g/mol
Exact Mass360.03
IUPAC Name6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine
SMILESCC1(C)CC2(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)
InChIKeyXSDCPIGUEPSZBN-UHFFFAOYSA-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

Analyze 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine with MolForge

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Related Compounds

CID 57386411
CID 57386411
CID 90056190
CID 90056190
CID 86724229
CID 86724229
CID 90056183
CID 90056183
CID 90056184
CID 90056184
CID 90056326
CID 90056326
CID 86724231
CID 86724231
CID 86724233
CID 86724233
CID 86724291
CID 86724291
CID 86724312
CID 86724312
CID 90026141
CID 90026141
CID 90056000
CID 90056000

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine?
The IUPAC name of 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine (CID 71059650) is 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine.
What is the SMILES notation for 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine?
The canonical SMILES for 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine is CC1(C)CC2(N=C(N)OCC2(F)F)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine?
The InChIKey is XSDCPIGUEPSZBN-UHFFFAOYSA-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).
What are the key properties of 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine?
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 6-bromo-5',5'-difluoro-2,2-dimethylspiro[3H-chromene-4,4'-6H-1,3-oxazine]-2'-amine is sourced from PubChem (CID 71059650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).