5-ethylsulfanyl-1,1,1-trifluoropentane

C7H13F3S — CID 91061232

IUPAC5-ethylsulfanyl-1,1,1-trifluoropentane
SMILESCCSCCCCC(F)(F)F
InChIInChI=1S/C7H13F3S/c1-2-11-6-4-3-5-7(8,9)10/h2-6H2,1H3
InChIKeyHJIRCIAVGUYYAE-UHFFFAOYSA-N
MW186.24 g/mol
LogP3.47
Rot. Bonds5

About 5-ethylsulfanyl-1,1,1-trifluoropentane

5-ethylsulfanyl-1,1,1-trifluoropentane (PubChem CID 91061232) has the molecular formula C7H13F3S and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-ethylsulfanyl-1,1,1-trifluoropentane.

Molecular Properties

Compound Name5-ethylsulfanyl-1,1,1-trifluoropentane
PubChem CID91061232
Molecular FormulaC7H13F3S
Molecular Weight186.24 g/mol
Exact Mass186.07
IUPAC Name5-ethylsulfanyl-1,1,1-trifluoropentane
SMILESCCSCCCCC(F)(F)F
InChIInChI=1S/C7H13F3S/c1-2-11-6-4-3-5-7(8,9)10/h2-6H2,1H3
InChIKeyHJIRCIAVGUYYAE-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-1,1,1-trifluoropentane?
The IUPAC name of 5-ethylsulfanyl-1,1,1-trifluoropentane (CID 91061232) is 5-ethylsulfanyl-1,1,1-trifluoropentane.
What is the SMILES notation for 5-ethylsulfanyl-1,1,1-trifluoropentane?
The canonical SMILES for 5-ethylsulfanyl-1,1,1-trifluoropentane is CCSCCCCC(F)(F)F.
What is the InChIKey of 5-ethylsulfanyl-1,1,1-trifluoropentane?
The InChIKey is HJIRCIAVGUYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3S/c1-2-11-6-4-3-5-7(8,9)10/h2-6H2,1H3.
What are the key properties of 5-ethylsulfanyl-1,1,1-trifluoropentane?
5-ethylsulfanyl-1,1,1-trifluoropentane has a molecular weight of 186.24 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-1,1,1-trifluoropentane is sourced from PubChem (CID 91061232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).