1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene

C6H8F2O2S — CID 135338939

IUPAC1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene
SMILESO=S(=O)(CC=CF)CC=CF
InChIInChI=1S/C6H8F2O2S/c7-3-1-5-11(9,10)6-2-4-8/h1-4H,5-6H2
InChIKeyQZDPWHPIMHNFJZ-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.37
Rot. Bonds4

About 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene

1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene (PubChem CID 135338939) has the molecular formula C6H8F2O2S and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene
PubChem CID135338939
Molecular FormulaC6H8F2O2S
Molecular Weight182.19 g/mol
Exact Mass182.02
IUPAC Name1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene
SMILESO=S(=O)(CC=CF)CC=CF
InChIInChI=1S/C6H8F2O2S/c7-3-1-5-11(9,10)6-2-4-8/h1-4H,5-6H2
InChIKeyQZDPWHPIMHNFJZ-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene?
The IUPAC name of 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene (CID 135338939) is 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene.
What is the SMILES notation for 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene?
The canonical SMILES for 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene is O=S(=O)(CC=CF)CC=CF.
What is the InChIKey of 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene?
The InChIKey is QZDPWHPIMHNFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2S/c7-3-1-5-11(9,10)6-2-4-8/h1-4H,5-6H2.
What are the key properties of 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene?
1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene has a molecular weight of 182.19 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(3-fluoroprop-2-enylsulfonyl)prop-1-ene is sourced from PubChem (CID 135338939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).