[4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine

C8H16FNO2S — CID 115026489

IUPAC[4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine
SMILESCC(F)CC1CS(=O)(=O)CC1CN
InChIInChI=1S/C8H16FNO2S/c1-6(9)2-7-4-13(11,12)5-8(7)3-10/h6-8H,2-5,10H2,1H3
InChIKeySBFUTDWZUNUAFC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.35
Rot. Bonds3

About [4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine

[4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 115026489) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is [4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine
PubChem CID115026489
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name[4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine
SMILESCC(F)CC1CS(=O)(=O)CC1CN
InChIInChI=1S/C8H16FNO2S/c1-6(9)2-7-4-13(11,12)5-8(7)3-10/h6-8H,2-5,10H2,1H3
InChIKeySBFUTDWZUNUAFC-UHFFFAOYSA-N
XLogP0.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.35
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-dioxothiolan-3-yl]methanamine?
The IUPAC name of [4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine (CID 115026489) is [4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for [4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for [4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine is CC(F)CC1CS(=O)(=O)CC1CN.
What is the InChIKey of [4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is SBFUTDWZUNUAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-6(9)2-7-4-13(11,12)5-8(7)3-10/h6-8H,2-5,10H2,1H3.
What are the key properties of [4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine?
[4-(2-fluoropropyl)-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.35, 3 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-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 115026489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).