pentafluoro(propyl)-λ6-sulfane

C3H7F5S — CID 87375067

IUPACpentafluoro(propyl)-λ6-sulfane
SMILESCCCS(F)(F)(F)(F)F
InChIInChI=1S/C3H7F5S/c1-2-3-9(4,5,6,7)8/h2-3H2,1H3
InChIKeyGQRLVWKTAHLCJT-UHFFFAOYSA-N
MW170.15 g/mol
LogP3.69
Rot. Bonds2

About pentafluoro(propyl)-λ6-sulfane

pentafluoro(propyl)-λ6-sulfane (PubChem CID 87375067) has the molecular formula C3H7F5S and a molecular weight of 170.15 g/mol. Its IUPAC name is pentafluoro(propyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(propyl)-λ6-sulfane
PubChem CID87375067
Molecular FormulaC3H7F5S
Molecular Weight170.15 g/mol
Exact Mass170.02
IUPAC Namepentafluoro(propyl)-λ6-sulfane
SMILESCCCS(F)(F)(F)(F)F
InChIInChI=1S/C3H7F5S/c1-2-3-9(4,5,6,7)8/h2-3H2,1H3
InChIKeyGQRLVWKTAHLCJT-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentafluoro(propyl)-λ6-sulfane?
The IUPAC name of pentafluoro(propyl)-λ6-sulfane (CID 87375067) is pentafluoro(propyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(propyl)-λ6-sulfane?
The canonical SMILES for pentafluoro(propyl)-λ6-sulfane is CCCS(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro(propyl)-λ6-sulfane?
The InChIKey is GQRLVWKTAHLCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F5S/c1-2-3-9(4,5,6,7)8/h2-3H2,1H3.
What are the key properties of pentafluoro(propyl)-λ6-sulfane?
pentafluoro(propyl)-λ6-sulfane has a molecular weight of 170.15 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(propyl)-λ6-sulfane is sourced from PubChem (CID 87375067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).