1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane

C4HF9S — CID 134989448

IUPAC1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane
SMILESFC(C(F)(F)F)C(F)(F)SC(F)(F)F
InChIInChI=1S/C4HF9S/c5-1(2(6,7)8)3(9,10)14-4(11,12)13/h1H
InChIKeyKIAQSDUYTSUZHF-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.73
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane

1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane (PubChem CID 134989448) has the molecular formula C4HF9S and a molecular weight of 252.10 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane
PubChem CID134989448
Molecular FormulaC4HF9S
Molecular Weight252.10 g/mol
Exact Mass251.97
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane
SMILESFC(C(F)(F)F)C(F)(F)SC(F)(F)F
InChIInChI=1S/C4HF9S/c5-1(2(6,7)8)3(9,10)14-4(11,12)13/h1H
InChIKeyKIAQSDUYTSUZHF-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254
1-[(2S)-1,1,2,3,3,3-hexafluoropropyl]sulfanyl-4-methylbenzene
CID 36688629
1,1,2,3,3,3-hexafluoropropan-1-ol;silane
CID 174461418
4,4-dichloro-1,1,1,2,3,3-hexafluorobutane
CID 12829383
1,1,1,2,3,3,4,4-octafluoropentane
CID 12829393
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779
1,1,1,2,2,3,4,5,5,5-decafluoro-3-(trifluoromethyl)pentane
CID 91322713
3,4,5,5,5-pentafluoro-3-(1,2,2,2-tetrafluoroethyl)pent-1-yne
CID 12758794
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1,1,1,2,3,3,4,5-octafluoropentane
CID 86184237
3,4-dibromo-1,1,1,2,3-pentafluorobutane
CID 162536508

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane (CID 134989448) is 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane is FC(C(F)(F)F)C(F)(F)SC(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane?
The InChIKey is KIAQSDUYTSUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9S/c5-1(2(6,7)8)3(9,10)14-4(11,12)13/h1H.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane?
1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane has a molecular weight of 252.10 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(trifluoromethylsulfanyl)propane is sourced from PubChem (CID 134989448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).