(3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane

C7H11FOS — CID 134570829

IUPAC(3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane
SMILESCC(C)CO/C=C1/SC1F
InChIInChI=1S/C7H11FOS/c1-5(2)3-9-4-6-7(8)10-6/h4-5,7H,3H2,1-2H3/b6-4+
InChIKeyGYYDQNLWYBWZDB-GQCTYLIASA-N
MW162.23 g/mol
LogP2.54
Rot. Bonds3

About (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane

(3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane (PubChem CID 134570829) has the molecular formula C7H11FOS and a molecular weight of 162.23 g/mol. Its IUPAC name is (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane.

Molecular Properties

Compound Name(3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane
PubChem CID134570829
Molecular FormulaC7H11FOS
Molecular Weight162.23 g/mol
Exact Mass162.05
IUPAC Name(3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane
SMILESCC(C)CO/C=C1/SC1F
InChIInChI=1S/C7H11FOS/c1-5(2)3-9-4-6-7(8)10-6/h4-5,7H,3H2,1-2H3/b6-4+
InChIKeyGYYDQNLWYBWZDB-GQCTYLIASA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane?
The IUPAC name of (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane (CID 134570829) is (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane.
What is the SMILES notation for (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane?
The canonical SMILES for (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane is CC(C)CO/C=C1/SC1F.
What is the InChIKey of (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane?
The InChIKey is GYYDQNLWYBWZDB-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11FOS/c1-5(2)3-9-4-6-7(8)10-6/h4-5,7H,3H2,1-2H3/b6-4+.
What are the key properties of (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane?
(3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane has a molecular weight of 162.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-3-(2-methylpropoxymethylidene)thiirane is sourced from PubChem (CID 134570829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).