2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane

C9H15FO2S2 — CID 4584125

IUPAC2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane
SMILESC=CCS(=O)CC(F)CS(=O)CC=C
InChIInChI=1S/C9H15FO2S2/c1-3-5-13(11)7-9(10)8-14(12)6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyCQBBJUWQFHDVGJ-UHFFFAOYSA-N
MW238.35 g/mol
LogP1.19
Rot. Bonds8

About 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane

2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane (PubChem CID 4584125) has the molecular formula C9H15FO2S2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane.

Molecular Properties

Compound Name2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane
PubChem CID4584125
Molecular FormulaC9H15FO2S2
Molecular Weight238.35 g/mol
Exact Mass238.05
IUPAC Name2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane
SMILESC=CCS(=O)CC(F)CS(=O)CC=C
InChIInChI=1S/C9H15FO2S2/c1-3-5-13(11)7-9(10)8-14(12)6-4-2/h3-4,9H,1-2,5-8H2
InChIKeyCQBBJUWQFHDVGJ-UHFFFAOYSA-N
XLogP1.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enylsulfinylprop-1-ene;sulfur trioxide
CID 88846082
(2R)-2-(4-fluoroanilino)-3-prop-2-enylsulfinylpropanoic acid
CID 175870822
(E)-3-prop-2-enylsulfinyl-1-propylsulfinylprop-1-ene
CID 6367006
1-prop-2-enylsulfinylprop-2-ene-1-thiol
CID 173029866
(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(R)-prop-2-enylsulfinyl]ethyl]amino]-5-oxopentanoic acid
CID 162946192
4-prop-2-enylsulfinylbut-1-ynylbenzene
CID 135086824
2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene
CID 157498560
3-prop-2-enylsulfonylsulfinylprop-1-ene
CID 87152238
(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid
CID 132934359
(NE,R)-N-[(2R)-2-fluoropent-4-enylidene]-2-methylpropane-2-sulfinamide
CID 56641840
2,2-difluoroethanesulfinate
CID 23206833
[1-(aminomethyl)cyclohexyl]methanamine;platinum(4+);bis(3-prop-2-enylsulfinylpropanoate);dinitrate
CID 173351574

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane?
The IUPAC name of 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane (CID 4584125) is 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane.
What is the SMILES notation for 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane?
The canonical SMILES for 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane is C=CCS(=O)CC(F)CS(=O)CC=C.
What is the InChIKey of 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane?
The InChIKey is CQBBJUWQFHDVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2S2/c1-3-5-13(11)7-9(10)8-14(12)6-4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane?
2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane has a molecular weight of 238.35 g/mol, XLogP of 1.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-bis(prop-2-enylsulfinyl)propane is sourced from PubChem (CID 4584125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).