N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide

C12H14FNO4S — CID 7834521

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H14FNO4S/c13-9-2-1-3-11(6-9)18-7-12(15)14-10-4-5-19(16,17)8-10/h1-3,6,10H,4-5,7-8H2,(H,14,15)/t10-/m1/s1
InChIKeyQOCKCFIDYCYOBR-SNVBAGLBSA-N
MW287.31 g/mol
LogP0.51
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide (PubChem CID 7834521) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
PubChem CID7834521
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H14FNO4S/c13-9-2-1-3-11(6-9)18-7-12(15)14-10-4-5-19(16,17)8-10/h1-3,6,10H,4-5,7-8H2,(H,14,15)/t10-/m1/s1
InChIKeyQOCKCFIDYCYOBR-SNVBAGLBSA-N
XLogP0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
2-[3-(aminomethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 106485172
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(3-fluorophenoxy)ethylsulfanyl]acetamide
CID 95333812
2-(3-acetamidophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18870054
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-(1,1-dioxothiolan-3-yl)-2-(3-hexoxyphenoxy)acetamide
CID 4733336
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 6601805
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803774
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 78544557

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide (CID 7834521) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide is O=C(COc1cccc(F)c1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is QOCKCFIDYCYOBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14FNO4S/c13-9-2-1-3-11(6-9)18-7-12(15)14-10-4-5-19(16,17)8-10/h1-3,6,10H,4-5,7-8H2,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 287.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 7834521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).