2-methylprop-2-ene-1-sulfinyl fluoride

C4H7FOS — CID 119095697

IUPAC2-methylprop-2-ene-1-sulfinyl fluoride
SMILESC=C(C)CS(=O)F
InChIInChI=1S/C4H7FOS/c1-4(2)3-7(5)6/h1,3H2,2H3
InChIKeyXBSMJLYCZUWHKR-UHFFFAOYSA-N
MW122.16 g/mol
LogP1.20
Rot. Bonds2

About 2-methylprop-2-ene-1-sulfinyl fluoride

2-methylprop-2-ene-1-sulfinyl fluoride (PubChem CID 119095697) has the molecular formula C4H7FOS and a molecular weight of 122.16 g/mol. Its IUPAC name is 2-methylprop-2-ene-1-sulfinyl fluoride.

Molecular Properties

Compound Name2-methylprop-2-ene-1-sulfinyl fluoride
PubChem CID119095697
Molecular FormulaC4H7FOS
Molecular Weight122.16 g/mol
Exact Mass122.02
IUPAC Name2-methylprop-2-ene-1-sulfinyl fluoride
SMILESC=C(C)CS(=O)F
InChIInChI=1S/C4H7FOS/c1-4(2)3-7(5)6/h1,3H2,2H3
InChIKeyXBSMJLYCZUWHKR-UHFFFAOYSA-N
XLogP1.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-ene-1-sulfinyl fluoride?
The IUPAC name of 2-methylprop-2-ene-1-sulfinyl fluoride (CID 119095697) is 2-methylprop-2-ene-1-sulfinyl fluoride.
What is the SMILES notation for 2-methylprop-2-ene-1-sulfinyl fluoride?
The canonical SMILES for 2-methylprop-2-ene-1-sulfinyl fluoride is C=C(C)CS(=O)F.
What is the InChIKey of 2-methylprop-2-ene-1-sulfinyl fluoride?
The InChIKey is XBSMJLYCZUWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FOS/c1-4(2)3-7(5)6/h1,3H2,2H3.
What are the key properties of 2-methylprop-2-ene-1-sulfinyl fluoride?
2-methylprop-2-ene-1-sulfinyl fluoride has a molecular weight of 122.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-ene-1-sulfinyl fluoride is sourced from PubChem (CID 119095697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).