(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one

C11H9BrFNO3 — CID 166499661

IUPAC(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
SMILESO=C1N[C@]2(CCOc3c2ccc(Br)c3F)CO1
InChIInChI=1S/C11H9BrFNO3/c12-7-2-1-6-9(8(7)13)16-4-3-11(6)5-17-10(15)14-11/h1-2H,3-5H2,(H,14,15)/t11-/m1/s1
InChIKeyAWOYLCJAMWRBPK-LLVKDONJSA-N
MW302.10 g/mol
LogP2.31
Rot. Bonds

About (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one

(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one (PubChem CID 166499661) has the molecular formula C11H9BrFNO3 and a molecular weight of 302.10 g/mol. Its IUPAC name is (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one.

Molecular Properties

Compound Name(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
PubChem CID166499661
Molecular FormulaC11H9BrFNO3
Molecular Weight302.10 g/mol
Exact Mass300.97
IUPAC Name(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
SMILESO=C1N[C@]2(CCOc3c2ccc(Br)c3F)CO1
InChIInChI=1S/C11H9BrFNO3/c12-7-2-1-6-9(8(7)13)16-4-3-11(6)5-17-10(15)14-11/h1-2H,3-5H2,(H,14,15)/t11-/m1/s1
InChIKeyAWOYLCJAMWRBPK-LLVKDONJSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.10
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one with MolForge

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Related Compounds

[(4R)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol
CID 131321488
[(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol
CID 131428867
(4-Amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl)methanol
CID 131449762
Methyl 4-amino-7-bromo-8-fluorochroman-4-carboxylate
CID 157023105
methyl N-(6-bromo-4-fluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate
CID 165396390
[(3S,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol
CID 166499532
(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
CID 166499637
[(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol
CID 166499709
[(3R,4R)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol
CID 166499808
methyl N-(7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 166817406
(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde
CID 175392857
Spiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
CID 65584697

Frequently Asked Questions

What is the IUPAC name of (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The IUPAC name of (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one (CID 166499661) is (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one.
What is the SMILES notation for (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The canonical SMILES for (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one is O=C1N[C@]2(CCOc3c2ccc(Br)c3F)CO1.
What is the InChIKey of (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The InChIKey is AWOYLCJAMWRBPK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9BrFNO3/c12-7-2-1-6-9(8(7)13)16-4-3-11(6)5-17-10(15)14-11/h1-2H,3-5H2,(H,14,15)/t11-/m1/s1.
What are the key properties of (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one has a molecular weight of 302.10 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one is sourced from PubChem (CID 166499661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).