1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane

C8H14F4S — CID 2259847

IUPAC1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane
SMILESCCCCCSCC(F)(F)C(F)F
InChIInChI=1S/C8H14F4S/c1-2-3-4-5-13-6-8(11,12)7(9)10/h7H,2-6H2,1H3
InChIKeyMUPHMVFIXMTQLJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.81
Rot. Bonds7

About 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane

1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane (PubChem CID 2259847) has the molecular formula C8H14F4S and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane
PubChem CID2259847
Molecular FormulaC8H14F4S
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane
SMILESCCCCCSCC(F)(F)C(F)F
InChIInChI=1S/C8H14F4S/c1-2-3-4-5-13-6-8(11,12)7(9)10/h7H,2-6H2,1H3
InChIKeyMUPHMVFIXMTQLJ-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-Bis-ethylsulfanyl-1,1,1,2,2-pentafluoro-propane
CID 10400060
4,4-Bis(ethylsulfanyl)-1,1,1,2,2,3,3-heptafluorobutane
CID 10040699
1,1,1-Trifluoro-3-(3,3,3-trifluoropropylsulfanyl)propane
CID 87128471
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-Pentadecafluoroheptylsulfanyl)octane
CID 10505969
1-[(Trifluoromethyl)sulfanyl]heptane
CID 12670658
Propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate
CID 4737272
2,2,2',2'-Tetrafluorodipropyl sulfide
CID 129670314
1,1-Difluoroethylsulfanylcyclohexane
CID 135080428
Ethyl-1,1,2,3,3,3-hexafluoropropylsulfide
CID 533752
Kvmixdskqrmypo-uhfffaoysa-
CID 13101897
Wtdvlbzomoclls-uhfffaoysa-
CID 13101898
1-(1,1,2,2,3,3,3-Heptafluoropropylsulfanyl)octane
CID 15711440

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane (CID 2259847) is 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane is CCCCCSCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane?
The InChIKey is MUPHMVFIXMTQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4S/c1-2-3-4-5-13-6-8(11,12)7(9)10/h7H,2-6H2,1H3.
What are the key properties of 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane?
1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane has a molecular weight of 218.26 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropylsulfanyl)pentane is sourced from PubChem (CID 2259847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).