(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C11H11F2NO3S — CID 110721410

IUPAC(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H11F2NO3S/c12-9-2-1-8(7-10(9)13)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6H2
InChIKeyOZTTZABWLJFAHV-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.84
Rot. Bonds1

About (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 110721410) has the molecular formula C11H11F2NO3S and a molecular weight of 275.28 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID110721410
Molecular FormulaC11H11F2NO3S
Molecular Weight275.28 g/mol
Exact Mass275.04
IUPAC Name(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C11H11F2NO3S/c12-9-2-1-8(7-10(9)13)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6H2
InChIKeyOZTTZABWLJFAHV-UHFFFAOYSA-N
XLogP0.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103955999
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 113434754
1-(3,4-difluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 43797080
[4-bromo-3-(trifluoromethyl)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 81449740
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(2-fluorophenyl)phenyl]methanone
CID 131950577
(4-aminophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581074
(3,4-dihydroxyphenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103957032
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
CID 169240438
(3,4-difluorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815197

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 110721410) is (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is O=C(c1ccc(F)c(F)c1)N1CCS(=O)(=O)CC1.
What is the InChIKey of (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is OZTTZABWLJFAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3S/c12-9-2-1-8(7-10(9)13)11(15)14-3-5-18(16,17)6-4-14/h1-2,7H,3-6H2.
What are the key properties of (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 275.28 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 110721410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).