2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene

C5H5F5S — CID 12567445

IUPAC2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene
SMILESCCSC(=C(F)F)C(F)(F)F
InChIInChI=1S/C5H5F5S/c1-2-11-3(4(6)7)5(8,9)10/h2H2,1H3
InChIKeyGWEHQYWOPCICEQ-UHFFFAOYSA-N
MW192.15 g/mol
LogP3.41
Rot. Bonds2

About 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene

2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene (PubChem CID 12567445) has the molecular formula C5H5F5S and a molecular weight of 192.15 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene
PubChem CID12567445
Molecular FormulaC5H5F5S
Molecular Weight192.15 g/mol
Exact Mass192.00
IUPAC Name2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene
SMILESCCSC(=C(F)F)C(F)(F)F
InChIInChI=1S/C5H5F5S/c1-2-11-3(4(6)7)5(8,9)10/h2H2,1H3
InChIKeyGWEHQYWOPCICEQ-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl hexafluoroisopropyl sulfide
CID 12567442
2-Ethylsulfanyl-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 12772020
1-Fluoro-2-(trifluoromethylsulfanyl)propane
CID 13708908
Ethyl-1,1,2,3,3,3-hexafluoropropylsulfide
CID 533752
Wtdvlbzomoclls-uhfffaoysa-
CID 13101898
1-Ethylsulfanyl-1,1,2,2,2-pentafluoroethane
CID 11506555
1-Ethylsulfanyl-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 11543703
1,1,1,3,3,3-Hexafluoro-2-methylsulfanylpropane
CID 15655246
3-Ethylsulfanyl-1,1,1,2,2-pentafluoropropane
CID 19384702
1,1,2-Trifluoro-3-methylsulfanylprop-1-ene
CID 21300324
1-Ethylsulfanyl-1,1,2,2-tetrafluoroethane
CID 21801328
1,1,1,3,3,3-Hexafluoro-2-propan-2-ylsulfanylpropane
CID 59881989

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene (CID 12567445) is 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene is CCSC(=C(F)F)C(F)(F)F.
What is the InChIKey of 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene?
The InChIKey is GWEHQYWOPCICEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5S/c1-2-11-3(4(6)7)5(8,9)10/h2H2,1H3.
What are the key properties of 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene?
2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene has a molecular weight of 192.15 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,1,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 12567445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).