(4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine

C13H13BrF2N2O2 — CID 71059576

IUPAC(4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine
SMILESNC1=N[C@@]2(CCOc3ccc(Br)cc32)C(F)(F)COC1
InChIInChI=1S/C13H13BrF2N2O2/c14-8-1-2-10-9(5-8)12(3-4-20-10)13(15,16)7-19-6-11(17)18-12/h1-2,5H,3-4,6-7H2,(H2,17,18)/t12-/m1/s1
InChIKeyBGOGIUHVFOZLBD-GFCCVEGCSA-N
MW347.16 g/mol
LogP2.45
Rot. Bonds

About (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine

(4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine (PubChem CID 71059576) has the molecular formula C13H13BrF2N2O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine.

Molecular Properties

Compound Name(4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine
PubChem CID71059576
Molecular FormulaC13H13BrF2N2O2
Molecular Weight347.16 g/mol
Exact Mass346.01
IUPAC Name(4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine
SMILESNC1=N[C@@]2(CCOc3ccc(Br)cc32)C(F)(F)COC1
InChIInChI=1S/C13H13BrF2N2O2/c14-8-1-2-10-9(5-8)12(3-4-20-10)13(15,16)7-19-6-11(17)18-12/h1-2,5H,3-4,6-7H2,(H2,17,18)/t12-/m1/s1
InChIKeyBGOGIUHVFOZLBD-GFCCVEGCSA-N
XLogP2.45
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6'-Bromo-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine
CID 86724229
6'-Bromodispiro[cyclopropane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine
CID 86724231
6'-Bromodispiro[cyclobutane-1,3'-chromene-4',4''-[1,3]oxazol]-2''-amine
CID 86724233
6'-Bromodispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-2-amine
CID 86724312
CID 90025002
CID 90025002
CID 90026141
CID 90026141
US8975415, RP7b
CID 90056178
US8975415, RP9a
CID 90056181
US8975415, RP7a
CID 90056182
US9242973, RP11a
CID 90056187
US8975415, RP14a
CID 90056189
CID 90056191
CID 90056191

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine?
The IUPAC name of (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine (CID 71059576) is (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine.
What is the SMILES notation for (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine?
The canonical SMILES for (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine is NC1=N[C@@]2(CCOc3ccc(Br)cc32)C(F)(F)COC1.
What is the InChIKey of (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine?
The InChIKey is BGOGIUHVFOZLBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13BrF2N2O2/c14-8-1-2-10-9(5-8)12(3-4-20-10)13(15,16)7-19-6-11(17)18-12/h1-2,5H,3-4,6-7H2,(H2,17,18)/t12-/m1/s1.
What are the key properties of (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine?
(4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine has a molecular weight of 347.16 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine is sourced from PubChem (CID 71059576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).