6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one

C14H7F2NO2S — CID 71591586

IUPAC6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
SMILESO=c1oc2ccc(F)cc2c(=S)n1-c1ccc(F)cc1
InChIInChI=1S/C14H7F2NO2S/c15-8-1-4-10(5-2-8)17-13(20)11-7-9(16)3-6-12(11)19-14(17)18/h1-7H
InChIKeyQLRQRFXHQBBQCE-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.59
Rot. Bonds1

About 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one

6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one (PubChem CID 71591586) has the molecular formula C14H7F2NO2S and a molecular weight of 291.28 g/mol. Its IUPAC name is 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
PubChem CID71591586
Molecular FormulaC14H7F2NO2S
Molecular Weight291.28 g/mol
Exact Mass291.02
IUPAC Name6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
SMILESO=c1oc2ccc(F)cc2c(=S)n1-c1ccc(F)cc1
InChIInChI=1S/C14H7F2NO2S/c15-8-1-4-10(5-2-8)17-13(20)11-7-9(16)3-6-12(11)19-14(17)18/h1-7H
InChIKeyQLRQRFXHQBBQCE-UHFFFAOYSA-N
XLogP3.59
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
CID 71591739
6-chloro-3-(4-fluorophenyl)-1,3-benzoxazine-2,4-dithione
CID 71591845
3-(4-butan-2-ylphenyl)-6-chloro-4-sulfanylidene-1,3-benzoxazin-2-one
CID 52942500
3-(3-fluorophenyl)-6-methyl-1,3-benzoxazine-2,4-dione
CID 11747669
3-(4-fluorophenyl)-7-methoxy-1,3-benzoxazine-2,4-dithione
CID 102213235
8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one
CID 145414402
7-fluoro-1-phenyl-3,1-benzoxazine-2,4-dione
CID 170551517
7-fluoro-1,2-bis(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855423
CID 178035195
CID 178035195
6-fluoro-2-(hydroxymethyl)chromen-4-one
CID 14089208
6-fluoro-2-oxochromene-4-carbaldehyde
CID 139198666
(1S)-7-fluoro-1-(4-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7741478

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one?
The IUPAC name of 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one (CID 71591586) is 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one.
What is the SMILES notation for 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one?
The canonical SMILES for 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one is O=c1oc2ccc(F)cc2c(=S)n1-c1ccc(F)cc1.
What is the InChIKey of 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one?
The InChIKey is QLRQRFXHQBBQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO2S/c15-8-1-4-10(5-2-8)17-13(20)11-7-9(16)3-6-12(11)19-14(17)18/h1-7H.
What are the key properties of 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one?
6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one has a molecular weight of 291.28 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-fluorophenyl)-4-sulfanylidene-1,3-benzoxazin-2-one is sourced from PubChem (CID 71591586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).