[2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine

C11H14FNO3S — CID 54914821

IUPAC[2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C11H14FNO3S/c12-10-2-1-3-11(9(10)6-13)16-8-4-5-17(14,15)7-8/h1-3,8H,4-7,13H2
InChIKeyAZYSKPNPCMHMPG-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.85
Rot. Bonds3

About [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine

[2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine (PubChem CID 54914821) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine
PubChem CID54914821
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name[2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1OC1CCS(=O)(=O)C1
InChIInChI=1S/C11H14FNO3S/c12-10-2-1-3-11(9(10)6-13)16-8-4-5-17(14,15)7-8/h1-3,8H,4-7,13H2
InChIKeyAZYSKPNPCMHMPG-UHFFFAOYSA-N
XLogP0.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-(1,1-dioxothiolan-3-yl)oxyphenyl]methanamine
CID 113276602
[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine
CID 63937815
3-naphthalen-1-yloxythiolane 1,1-dioxide
CID 62113334
3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide
CID 83381393
3-[2-(bromomethyl)phenoxy]thiolane 1,1-dioxide
CID 61058893
1-[4-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]propan-2-amine
CID 107692941
3-[4-(bromomethyl)-2-fluorophenoxy]thiolane 1,1-dioxide
CID 107691677
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]butan-2-amine
CID 115958816
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914959
4-(1,1-dioxothiolan-3-yl)oxynaphthalen-1-amine
CID 63691519
2-[4-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914820
2-[3-bromo-2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 61392040

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine (CID 54914821) is [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine is NCc1c(F)cccc1OC1CCS(=O)(=O)C1.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine?
The InChIKey is AZYSKPNPCMHMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-10-2-1-3-11(9(10)6-13)16-8-4-5-17(14,15)7-8/h1-3,8H,4-7,13H2.
What are the key properties of [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine?
[2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine has a molecular weight of 259.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-3-yl)oxy-6-fluorophenyl]methanamine is sourced from PubChem (CID 54914821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).