4-(2-fluoropropyl)-1,1-dioxothian-3-amine

C8H16FNO2S — CID 115026487

IUPAC4-(2-fluoropropyl)-1,1-dioxothian-3-amine
SMILESCC(F)CC1CCS(=O)(=O)CC1N
InChIInChI=1S/C8H16FNO2S/c1-6(9)4-7-2-3-13(11,12)5-8(7)10/h6-8H,2-5,10H2,1H3
InChIKeyLXHRQUBHSWNKHK-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.50
Rot. Bonds2

About 4-(2-fluoropropyl)-1,1-dioxothian-3-amine

4-(2-fluoropropyl)-1,1-dioxothian-3-amine (PubChem CID 115026487) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-fluoropropyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound Name4-(2-fluoropropyl)-1,1-dioxothian-3-amine
PubChem CID115026487
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name4-(2-fluoropropyl)-1,1-dioxothian-3-amine
SMILESCC(F)CC1CCS(=O)(=O)CC1N
InChIInChI=1S/C8H16FNO2S/c1-6(9)4-7-2-3-13(11,12)5-8(7)10/h6-8H,2-5,10H2,1H3
InChIKeyLXHRQUBHSWNKHK-UHFFFAOYSA-N
XLogP0.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropyl)-1,1-dioxothian-3-amine?
The IUPAC name of 4-(2-fluoropropyl)-1,1-dioxothian-3-amine (CID 115026487) is 4-(2-fluoropropyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for 4-(2-fluoropropyl)-1,1-dioxothian-3-amine?
The canonical SMILES for 4-(2-fluoropropyl)-1,1-dioxothian-3-amine is CC(F)CC1CCS(=O)(=O)CC1N.
What is the InChIKey of 4-(2-fluoropropyl)-1,1-dioxothian-3-amine?
The InChIKey is LXHRQUBHSWNKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-6(9)4-7-2-3-13(11,12)5-8(7)10/h6-8H,2-5,10H2,1H3.
What are the key properties of 4-(2-fluoropropyl)-1,1-dioxothian-3-amine?
4-(2-fluoropropyl)-1,1-dioxothian-3-amine has a molecular weight of 209.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropyl)-1,1-dioxothian-3-amine is sourced from PubChem (CID 115026487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).