1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene

C7H10F2S2 — CID 102189624

IUPAC1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene
SMILESCCSC(=C=C(F)F)SCC
InChIInChI=1S/C7H10F2S2/c1-3-10-7(11-4-2)5-6(8)9/h3-4H2,1-2H3
InChIKeyFFMGWETVLGMIAG-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.71
Rot. Bonds4

About 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene

1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene (PubChem CID 102189624) has the molecular formula C7H10F2S2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene.

Molecular Properties

Compound Name1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene
PubChem CID102189624
Molecular FormulaC7H10F2S2
Molecular Weight196.29 g/mol
Exact Mass196.02
IUPAC Name1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene
SMILESCCSC(=C=C(F)F)SCC
InChIInChI=1S/C7H10F2S2/c1-3-10-7(11-4-2)5-6(8)9/h3-4H2,1-2H3
InChIKeyFFMGWETVLGMIAG-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene?
The IUPAC name of 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene (CID 102189624) is 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene.
What is the SMILES notation for 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene?
The canonical SMILES for 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene is CCSC(=C=C(F)F)SCC.
What is the InChIKey of 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene?
The InChIKey is FFMGWETVLGMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2S2/c1-3-10-7(11-4-2)5-6(8)9/h3-4H2,1-2H3.
What are the key properties of 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene?
1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene has a molecular weight of 196.29 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethylsulfanyl)-3,3-difluoropropa-1,2-diene is sourced from PubChem (CID 102189624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).