1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane

C5H6F6S — CID 533752

IUPAC1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane
SMILESCCSC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H6F6S/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3
InChIKeyMVSZZKPGZACIET-UHFFFAOYSA-N
MW212.16 g/mol
LogP3.23
Rot. Bonds3

About 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane

1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane (PubChem CID 533752) has the molecular formula C5H6F6S and a molecular weight of 212.16 g/mol. Its IUPAC name is 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane
PubChem CID533752
Molecular FormulaC5H6F6S
Molecular Weight212.16 g/mol
Exact Mass212.01
IUPAC Name1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane
SMILESCCSC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H6F6S/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3
InChIKeyMVSZZKPGZACIET-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Bis-ethylsulfanyl-1,1,1,2,2-pentafluoro-propane
CID 10400060
Ethyl hexafluoroisopropyl sulfide
CID 12567442
2-Ethylthiopentafluoropropylene
CID 12567445
Methyl 2,2-bis(trifluoromethyl)-3,3,3-trifluoropropyl sulfide
CID 13152330
1,1,2,2-Tetrafluoro-3-(2,2,3,3-tetrafluoropropylsulfanyl)propane
CID 134968095
2-(Ethylthio)-1,1,1-trifluoroethane
CID 6432510
Trifluoroethyl sulfide
CID 87070773
1,1,1-Trifluoro-3-(3,3,3-trifluoropropylsulfanyl)propane
CID 87128471
Tetrafluoropropyl sulfide
CID 87155176
4,4,4-Trifluorobutyl methyl sulfide
CID 89333965
Butane, 1-[(trifluoromethyl)thio]-
CID 544786
Trifluoromethyl isopropyl sulfide
CID 588919

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane (CID 533752) is 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane is CCSC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is MVSZZKPGZACIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6S/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3.
What are the key properties of 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane?
1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 212.16 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 533752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).