2-ethylsulfinyl-1-fluoro-2-methylpropane

C6H13FOS — CID 87155210

IUPAC2-ethylsulfinyl-1-fluoro-2-methylpropane
SMILESCCS(=O)C(C)(C)CF
InChIInChI=1S/C6H13FOS/c1-4-9(8)6(2,3)5-7/h4-5H2,1-3H3
InChIKeyLNTMOHBCWZMJSM-UHFFFAOYSA-N
MW152.23 g/mol
LogP1.50
Rot. Bonds3

About 2-ethylsulfinyl-1-fluoro-2-methylpropane

2-ethylsulfinyl-1-fluoro-2-methylpropane (PubChem CID 87155210) has the molecular formula C6H13FOS and a molecular weight of 152.23 g/mol. Its IUPAC name is 2-ethylsulfinyl-1-fluoro-2-methylpropane.

Molecular Properties

Compound Name2-ethylsulfinyl-1-fluoro-2-methylpropane
PubChem CID87155210
Molecular FormulaC6H13FOS
Molecular Weight152.23 g/mol
Exact Mass152.07
IUPAC Name2-ethylsulfinyl-1-fluoro-2-methylpropane
SMILESCCS(=O)C(C)(C)CF
InChIInChI=1S/C6H13FOS/c1-4-9(8)6(2,3)5-7/h4-5H2,1-3H3
InChIKeyLNTMOHBCWZMJSM-UHFFFAOYSA-N
XLogP1.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethylsulfinyl-1-fluoro-2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinyl-1-fluoro-2-methylpropane?
The IUPAC name of 2-ethylsulfinyl-1-fluoro-2-methylpropane (CID 87155210) is 2-ethylsulfinyl-1-fluoro-2-methylpropane.
What is the SMILES notation for 2-ethylsulfinyl-1-fluoro-2-methylpropane?
The canonical SMILES for 2-ethylsulfinyl-1-fluoro-2-methylpropane is CCS(=O)C(C)(C)CF.
What is the InChIKey of 2-ethylsulfinyl-1-fluoro-2-methylpropane?
The InChIKey is LNTMOHBCWZMJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FOS/c1-4-9(8)6(2,3)5-7/h4-5H2,1-3H3.
What are the key properties of 2-ethylsulfinyl-1-fluoro-2-methylpropane?
2-ethylsulfinyl-1-fluoro-2-methylpropane has a molecular weight of 152.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-1-fluoro-2-methylpropane is sourced from PubChem (CID 87155210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).