2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane

C7H7F7S2 — CID 10356744

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1SCCCS1
InChIInChI=1S/C7H7F7S2/c8-5(9,4-15-2-1-3-16-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKeyKBIZKJDITCNCIC-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.02
Rot. Bonds2

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane

2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane (PubChem CID 10356744) has the molecular formula C7H7F7S2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane
PubChem CID10356744
Molecular FormulaC7H7F7S2
Molecular Weight288.25 g/mol
Exact Mass287.99
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1SCCCS1
InChIInChI=1S/C7H7F7S2/c8-5(9,4-15-2-1-3-16-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKeyKBIZKJDITCNCIC-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
2-Pentafluoroethyl-[1,3]dithiane
CID 10014420
2-Tetrafluoroethylidene-[1,3]dithiane
CID 10262826
2-(2,2,2-Trifluoroethyl)-1,3-dithiane
CID 10512309
2-(Trifluoromethyl)-1,3-dithiane
CID 14319431
2,2-Difluoro-1,3-dithiane
CID 12070546
2-(1,2,2-Trifluoroethylidene)-1,3-dithiane
CID 88379229
2,2,4,4-Tetrafluoro-1,3-dithiane
CID 151949177
3,3-Difluoro-2-(trifluoromethyl)thiane
CID 175120069

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane (CID 10356744) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane is FC(F)(F)C(F)(F)C(F)(F)C1SCCCS1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane?
The InChIKey is KBIZKJDITCNCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7S2/c8-5(9,4-15-2-1-3-16-4)6(10,11)7(12,13)14/h4H,1-3H2.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane has a molecular weight of 288.25 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dithiane is sourced from PubChem (CID 10356744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).