1-(trifluoromethylsulfanyl)pentane

C6H11F3S — CID 54204196

IUPAC1-(trifluoromethylsulfanyl)pentane
SMILESCCCCCSC(F)(F)F
InChIInChI=1S/C6H11F3S/c1-2-3-4-5-10-6(7,8)9/h2-5H2,1H3
InChIKeyMEUCTEJBNMZVER-UHFFFAOYSA-N
MW172.21 g/mol
LogP3.43
Rot. Bonds4

About 1-(trifluoromethylsulfanyl)pentane

1-(trifluoromethylsulfanyl)pentane (PubChem CID 54204196) has the molecular formula C6H11F3S and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)pentane.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)pentane
PubChem CID54204196
Molecular FormulaC6H11F3S
Molecular Weight172.21 g/mol
Exact Mass172.05
IUPAC Name1-(trifluoromethylsulfanyl)pentane
SMILESCCCCCSC(F)(F)F
InChIInChI=1S/C6H11F3S/c1-2-3-4-5-10-6(7,8)9/h2-5H2,1H3
InChIKeyMEUCTEJBNMZVER-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 53.43
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 1-(trifluoromethylsulfanyl)pentane?
The IUPAC name of 1-(trifluoromethylsulfanyl)pentane (CID 54204196) is 1-(trifluoromethylsulfanyl)pentane.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)pentane?
The canonical SMILES for 1-(trifluoromethylsulfanyl)pentane is CCCCCSC(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfanyl)pentane?
The InChIKey is MEUCTEJBNMZVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3S/c1-2-3-4-5-10-6(7,8)9/h2-5H2,1H3.
What are the key properties of 1-(trifluoromethylsulfanyl)pentane?
1-(trifluoromethylsulfanyl)pentane has a molecular weight of 172.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)pentane is sourced from PubChem (CID 54204196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).