1-(difluoromethylsulfanyl)propa-1,2-diene

C4H4F2S — CID 139911169

IUPAC1-(difluoromethylsulfanyl)propa-1,2-diene
SMILESC=C=CSC(F)F
InChIInChI=1S/C4H4F2S/c1-2-3-7-4(5)6/h3-4H,1H2
InChIKeyUXAYMIGWDCDPOR-UHFFFAOYSA-N
MW122.14 g/mol
LogP2.24
Rot. Bonds2

About 1-(difluoromethylsulfanyl)propa-1,2-diene

1-(difluoromethylsulfanyl)propa-1,2-diene (PubChem CID 139911169) has the molecular formula C4H4F2S and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)propa-1,2-diene.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)propa-1,2-diene
PubChem CID139911169
Molecular FormulaC4H4F2S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Name1-(difluoromethylsulfanyl)propa-1,2-diene
SMILESC=C=CSC(F)F
InChIInChI=1S/C4H4F2S/c1-2-3-7-4(5)6/h3-4H,1H2
InChIKeyUXAYMIGWDCDPOR-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)propa-1,2-diene?
The IUPAC name of 1-(difluoromethylsulfanyl)propa-1,2-diene (CID 139911169) is 1-(difluoromethylsulfanyl)propa-1,2-diene.
What is the SMILES notation for 1-(difluoromethylsulfanyl)propa-1,2-diene?
The canonical SMILES for 1-(difluoromethylsulfanyl)propa-1,2-diene is C=C=CSC(F)F.
What is the InChIKey of 1-(difluoromethylsulfanyl)propa-1,2-diene?
The InChIKey is UXAYMIGWDCDPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2S/c1-2-3-7-4(5)6/h3-4H,1H2.
What are the key properties of 1-(difluoromethylsulfanyl)propa-1,2-diene?
1-(difluoromethylsulfanyl)propa-1,2-diene has a molecular weight of 122.14 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)propa-1,2-diene is sourced from PubChem (CID 139911169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).