(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde

C12H11F2NO3 — CID 175392881

IUPAC(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde
SMILESO=CC1N[C@]2(CCOc3c2ccc(F)c3F)CO1
InChIInChI=1S/C12H11F2NO3/c13-8-2-1-7-11(10(8)14)17-4-3-12(7)6-18-9(5-16)15-12/h1-2,5,9,15H,3-4,6H2/t9?,12-/m1/s1
InChIKeyHFVHMFRZXGEZIF-FFFFSGIJSA-N
MW255.22 g/mol
LogP1.09
Rot. Bonds1

About (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde

(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde (PubChem CID 175392881) has the molecular formula C12H11F2NO3 and a molecular weight of 255.22 g/mol. Its IUPAC name is (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde.

Molecular Properties

Compound Name(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde
PubChem CID175392881
Molecular FormulaC12H11F2NO3
Molecular Weight255.22 g/mol
Exact Mass255.07
IUPAC Name(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde
SMILESO=CC1N[C@]2(CCOc3c2ccc(F)c3F)CO1
InChIInChI=1S/C12H11F2NO3/c13-8-2-1-7-11(10(8)14)17-4-3-12(7)6-18-9(5-16)15-12/h1-2,5,9,15H,3-4,6H2/t9?,12-/m1/s1
InChIKeyHFVHMFRZXGEZIF-FFFFSGIJSA-N
XLogP1.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde?
The IUPAC name of (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde (CID 175392881) is (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde.
What is the SMILES notation for (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde?
The canonical SMILES for (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde is O=CC1N[C@]2(CCOc3c2ccc(F)c3F)CO1.
What is the InChIKey of (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde?
The InChIKey is HFVHMFRZXGEZIF-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H11F2NO3/c13-8-2-1-7-11(10(8)14)17-4-3-12(7)6-18-9(5-16)15-12/h1-2,5,9,15H,3-4,6H2/t9?,12-/m1/s1.
What are the key properties of (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde?
(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde has a molecular weight of 255.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-carbaldehyde is sourced from PubChem (CID 175392881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).