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

C11H11BrFNO2 — CID 175818476

IUPAC(2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]
SMILES[2H][C@H]1NC2(CCOc3c2ccc(Br)c3F)CO1
InChIInChI=1S/C11H11BrFNO2/c12-8-2-1-7-10(9(8)13)16-4-3-11(7)5-15-6-14-11/h1-2,14H,3-6H2/i6D/t6-,11?/m0/s1
InChIKeyKRYLNSHJTNTVAR-CUKOENQSSA-N
MW289.12 g/mol
LogP2.14
Rot. Bonds

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

(2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] (PubChem CID 175818476) has the molecular formula C11H11BrFNO2 and a molecular weight of 289.12 g/mol. Its IUPAC name is (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene].

Molecular Properties

Compound Name(2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]
PubChem CID175818476
Molecular FormulaC11H11BrFNO2
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name(2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]
SMILES[2H][C@H]1NC2(CCOc3c2ccc(Br)c3F)CO1
InChIInChI=1S/C11H11BrFNO2/c12-8-2-1-7-10(9(8)13)16-4-3-11(7)5-15-6-14-11/h1-2,14H,3-6H2/i6D/t6-,11?/m0/s1
InChIKeyKRYLNSHJTNTVAR-CUKOENQSSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]?
The IUPAC name of (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] (CID 175818476) is (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene].
What is the SMILES notation for (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]?
The canonical SMILES for (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] is [2H][C@H]1NC2(CCOc3c2ccc(Br)c3F)CO1.
What is the InChIKey of (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]?
The InChIKey is KRYLNSHJTNTVAR-CUKOENQSSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-8-2-1-7-10(9(8)13)16-4-3-11(7)5-15-6-14-11/h1-2,14H,3-6H2/i6D/t6-,11?/m0/s1.
What are the key properties of (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]?
(2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] has a molecular weight of 289.12 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7'-bromo-2-deuterio-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene] is sourced from PubChem (CID 175818476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).