3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane

C6H8F4S2 — CID 175378222

IUPAC3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane
SMILESFC(F)=CCSCC=C(F)F.S
InChIInChI=1S/C6H6F4S.H2S/c7-5(8)1-3-11-4-2-6(9)10;/h1-2H,3-4H2;1H2
InChIKeyCWUMIBQLJRCNQL-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.39
Rot. Bonds4

About 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane

3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane (PubChem CID 175378222) has the molecular formula C6H8F4S2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane.

Molecular Properties

Compound Name3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane
PubChem CID175378222
Molecular FormulaC6H8F4S2
Molecular Weight220.26 g/mol
Exact Mass220.00
IUPAC Name3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane
SMILESFC(F)=CCSCC=C(F)F.S
InChIInChI=1S/C6H6F4S.H2S/c7-5(8)1-3-11-4-2-6(9)10;/h1-2H,3-4H2;1H2
InChIKeyCWUMIBQLJRCNQL-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
1,1-Difluoro-3-propylsulfanylprop-1-ene
CID 91011169
1,1,1-Trifluoro-2-propan-2-ylsulfanylbut-2-ene
CID 123265528
2-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 123528466
(Z)-2-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 145166543
3-(3,3-Difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene
CID 165178635
3-(1,1,2,2,2-Pentafluoroethylsulfanyl)prop-1-ene
CID 174863409
2,3-Bis(trifluoromethylsulfanyl)prop-1-ene
CID 176274165
1,1,1,3,3,3-Hexafluoro-2-prop-2-enylsulfanylpropane
CID 13542551
5-(Trifluoromethyl)-2,3-dihydro-1,4-dithiine
CID 15720767
CID 45075656
CID 45075656
1,3-Bis[(trifluoromethyl)sulfanyl]prop-1-ene
CID 71418135

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane?
The IUPAC name of 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane (CID 175378222) is 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane.
What is the SMILES notation for 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane?
The canonical SMILES for 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane is FC(F)=CCSCC=C(F)F.S.
What is the InChIKey of 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane?
The InChIKey is CWUMIBQLJRCNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4S.H2S/c7-5(8)1-3-11-4-2-6(9)10;/h1-2H,3-4H2;1H2.
What are the key properties of 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane?
3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane has a molecular weight of 220.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane is sourced from PubChem (CID 175378222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).