2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine

C7H14FNO2S — CID 105449135

IUPAC2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
SMILESCC(CN)C1(F)CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-6(4-9)7(8)2-3-12(10,11)5-7/h6H,2-5,9H2,1H3
InChIKeyVHJDMDMUQWXLHO-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds2

About 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine

2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine (PubChem CID 105449135) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
PubChem CID105449135
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine
SMILESCC(CN)C1(F)CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-6(4-9)7(8)2-3-12(10,11)5-7/h6H,2-5,9H2,1H3
InChIKeyVHJDMDMUQWXLHO-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine?
The IUPAC name of 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine (CID 105449135) is 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine?
The canonical SMILES for 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine is CC(CN)C1(F)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine?
The InChIKey is VHJDMDMUQWXLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-6(4-9)7(8)2-3-12(10,11)5-7/h6H,2-5,9H2,1H3.
What are the key properties of 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine?
2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1,1-dioxothiolan-3-yl)propan-1-amine is sourced from PubChem (CID 105449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).