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

C11H9F2NO3 — CID 166499637

IUPAC(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
SMILESO=C1N[C@]2(CCOc3c2ccc(F)c3F)CO1
InChIInChI=1S/C11H9F2NO3/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
InChIKeyAYKXMJYUZICQCG-LLVKDONJSA-N
MW241.19 g/mol
LogP1.68
Rot. Bonds

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

(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one (PubChem CID 166499637) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one.

Molecular Properties

Compound Name(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
PubChem CID166499637
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
SMILESO=C1N[C@]2(CCOc3c2ccc(F)c3F)CO1
InChIInChI=1S/C11H9F2NO3/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
InChIKeyAYKXMJYUZICQCG-LLVKDONJSA-N
XLogP1.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R)-4-amino-7,8-difluoro-2,3-dihydrochromen-4-yl]methanol
CID 131270301
(4-Amino-7,8-difluoro-2,3-dihydrochromen-4-yl)methanol
CID 131497872
[(4S)-4-amino-7,8-difluoro-2,3-dihydrochromen-4-yl]methanol
CID 131537765
N-(8-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide
CID 146409051
N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide
CID 146409061
tert-butyl N-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]carbamate
CID 155757790
tert-butyl (4R)-5,7-difluoro-2',2'-dioxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate
CID 164755129
tert-butyl (4R)-5,7-difluoro-2'-oxospiro[2,3-dihydrochromene-4,4'-oxathiazolidine]-3'-carboxylate
CID 164755142
tert-butyl N-[(4R)-5,7-difluoro-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]carbamate
CID 164755189
(4S)-7'-bromo-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one
CID 166499661
9'-fluorospiro[1,3-oxazolidine-4,5'-3,4-dihydro-2H-1-benzoxepine]-2-one
CID 166499682
methyl N-(7,8-difluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 166817328

Frequently Asked Questions

What is the IUPAC name of (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The IUPAC name of (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one (CID 166499637) is (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one.
What is the SMILES notation for (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The canonical SMILES for (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one is O=C1N[C@]2(CCOc3c2ccc(F)c3F)CO1.
What is the InChIKey of (4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
The InChIKey is AYKXMJYUZICQCG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9F2NO3/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',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one?
(4S)-7',8'-difluorospiro[1,3-oxazolidine-4,4'-2,3-dihydrochromene]-2-one has a molecular weight of 241.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 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-one is sourced from PubChem (CID 166499637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).