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

C12H12FNO2 — CID 166499768

IUPAC(4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one
SMILESO=C1N[C@]2(CCCc3c(F)cccc32)CO1
InChIInChI=1S/C12H12FNO2/c13-10-5-1-4-9-8(10)3-2-6-12(9)7-16-11(15)14-12/h1,4-5H,2-3,6-7H2,(H,14,15)/t12-/m1/s1
InChIKeyOPWGOKQVXOPURX-GFCCVEGCSA-N
MW221.23 g/mol
LogP2.10
Rot. Bonds

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

(4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one (PubChem CID 166499768) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one.

Molecular Properties

Compound Name(4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one
PubChem CID166499768
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name(4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one
SMILESO=C1N[C@]2(CCCc3c(F)cccc32)CO1
InChIInChI=1S/C12H12FNO2/c13-10-5-1-4-9-8(10)3-2-6-12(9)7-16-11(15)14-12/h1,4-5H,2-3,6-7H2,(H,14,15)/t12-/m1/s1
InChIKeyOPWGOKQVXOPURX-GFCCVEGCSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one?
The IUPAC name of (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one (CID 166499768) is (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one.
What is the SMILES notation for (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one?
The canonical SMILES for (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one is O=C1N[C@]2(CCCc3c(F)cccc32)CO1.
What is the InChIKey of (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one?
The InChIKey is OPWGOKQVXOPURX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-10-5-1-4-9-8(10)3-2-6-12(9)7-16-11(15)14-12/h1,4-5H,2-3,6-7H2,(H,14,15)/t12-/m1/s1.
What are the key properties of (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one?
(4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one has a molecular weight of 221.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-fluorospiro[1,3-oxazolidine-4,4'-2,3-dihydro-1H-naphthalene]-2-one is sourced from PubChem (CID 166499768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).