1-(trifluoromethylsulfanyl)undecane

C12H23F3S — CID 141487428

IUPAC1-(trifluoromethylsulfanyl)undecane
SMILESCCCCCCCCCCCSC(F)(F)F
InChIInChI=1S/C12H23F3S/c1-2-3-4-5-6-7-8-9-10-11-16-12(13,14)15/h2-11H2,1H3
InChIKeyHUCVDECCPOCAMZ-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.77
Rot. Bonds10

About 1-(trifluoromethylsulfanyl)undecane

1-(trifluoromethylsulfanyl)undecane (PubChem CID 141487428) has the molecular formula C12H23F3S and a molecular weight of 256.38 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanyl)undecane.

Molecular Properties

Compound Name1-(trifluoromethylsulfanyl)undecane
PubChem CID141487428
Molecular FormulaC12H23F3S
Molecular Weight256.38 g/mol
Exact Mass256.15
IUPAC Name1-(trifluoromethylsulfanyl)undecane
SMILESCCCCCCCCCCCSC(F)(F)F
InChIInChI=1S/C12H23F3S/c1-2-3-4-5-6-7-8-9-10-11-16-12(13,14)15/h2-11H2,1H3
InChIKeyHUCVDECCPOCAMZ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.38
LogP ≤ 55.77
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)undecane?
The IUPAC name of 1-(trifluoromethylsulfanyl)undecane (CID 141487428) is 1-(trifluoromethylsulfanyl)undecane.
What is the SMILES notation for 1-(trifluoromethylsulfanyl)undecane?
The canonical SMILES for 1-(trifluoromethylsulfanyl)undecane is CCCCCCCCCCCSC(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfanyl)undecane?
The InChIKey is HUCVDECCPOCAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3S/c1-2-3-4-5-6-7-8-9-10-11-16-12(13,14)15/h2-11H2,1H3.
What are the key properties of 1-(trifluoromethylsulfanyl)undecane?
1-(trifluoromethylsulfanyl)undecane has a molecular weight of 256.38 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanyl)undecane is sourced from PubChem (CID 141487428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).