1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene

C6H8F2OS — CID 87624876

IUPAC1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene
SMILESCC=C(F)S(=O)C(F)=CC
InChIInChI=1S/C6H8F2OS/c1-3-5(7)10(9)6(8)4-2/h3-4H,1-2H3
InChIKeyLZTQRBIZJKAJSW-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.40
Rot. Bonds2

About 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene

1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene (PubChem CID 87624876) has the molecular formula C6H8F2OS and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene.

Molecular Properties

Compound Name1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene
PubChem CID87624876
Molecular FormulaC6H8F2OS
Molecular Weight166.19 g/mol
Exact Mass166.03
IUPAC Name1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene
SMILESCC=C(F)S(=O)C(F)=CC
InChIInChI=1S/C6H8F2OS/c1-3-5(7)10(9)6(8)4-2/h3-4H,1-2H3
InChIKeyLZTQRBIZJKAJSW-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene?
The IUPAC name of 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene (CID 87624876) is 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene.
What is the SMILES notation for 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene?
The canonical SMILES for 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene is CC=C(F)S(=O)C(F)=CC.
What is the InChIKey of 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene?
The InChIKey is LZTQRBIZJKAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2OS/c1-3-5(7)10(9)6(8)4-2/h3-4H,1-2H3.
What are the key properties of 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene?
1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene has a molecular weight of 166.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-fluoroprop-1-enylsulfinyl)prop-1-ene is sourced from PubChem (CID 87624876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).