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

C12H11BrFNO2 — CID 163779175

IUPAC(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one
SMILESO=C1N[C@]2(CCCc3c2ccc(Br)c3F)CO1
InChIInChI=1S/C12H11BrFNO2/c13-9-4-3-8-7(10(9)14)2-1-5-12(8)6-17-11(16)15-12/h3-4H,1-2,5-6H2,(H,15,16)/t12-/m1/s1
InChIKeyMNCXIOGPSMCQKL-GFCCVEGCSA-N
MW300.13 g/mol
LogP2.86
Rot. Bonds

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

(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one (PubChem CID 163779175) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one.

Molecular Properties

Compound Name(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one
PubChem CID163779175
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one
SMILESO=C1N[C@]2(CCCc3c2ccc(Br)c3F)CO1
InChIInChI=1S/C12H11BrFNO2/c13-9-4-3-8-7(10(9)14)2-1-5-12(8)6-17-11(16)15-12/h3-4H,1-2,5-6H2,(H,15,16)/t12-/m1/s1
InChIKeyMNCXIOGPSMCQKL-GFCCVEGCSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one?
The IUPAC name of (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one (CID 163779175) is (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one.
What is the SMILES notation for (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one?
The canonical SMILES for (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one is O=C1N[C@]2(CCCc3c2ccc(Br)c3F)CO1.
What is the InChIKey of (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one?
The InChIKey is MNCXIOGPSMCQKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c13-9-4-3-8-7(10(9)14)2-1-5-12(8)6-17-11(16)15-12/h3-4H,1-2,5-6H2,(H,15,16)/t12-/m1/s1.
What are the key properties of (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one?
(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one has a molecular weight of 300.13 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one is sourced from PubChem (CID 163779175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).