9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane

C17H32F4S — CID 159925774

IUPAC9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane
SMILESCC(C)CCCCCCCCSCCCC(F)(F)C(C)(F)F
InChIInChI=1S/C17H32F4S/c1-15(2)11-8-6-4-5-7-9-13-22-14-10-12-17(20,21)16(3,18)19/h15H,4-14H2,1-3H3
InChIKeyJLEKLQQARIYYBT-UHFFFAOYSA-N
MW344.50 g/mol
LogP7.18
Rot. Bonds14

About 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane

9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane (PubChem CID 159925774) has the molecular formula C17H32F4S and a molecular weight of 344.50 g/mol. Its IUPAC name is 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane.

Molecular Properties

Compound Name9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane
PubChem CID159925774
Molecular FormulaC17H32F4S
Molecular Weight344.50 g/mol
Exact Mass344.22
IUPAC Name9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane
SMILESCC(C)CCCCCCCCSCCCC(F)(F)C(C)(F)F
InChIInChI=1S/C17H32F4S/c1-15(2)11-8-6-4-5-7-9-13-22-14-10-12-17(20,21)16(3,18)19/h15H,4-14H2,1-3H3
InChIKeyJLEKLQQARIYYBT-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane?
The IUPAC name of 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane (CID 159925774) is 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane.
What is the SMILES notation for 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane?
The canonical SMILES for 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane is CC(C)CCCCCCCCSCCCC(F)(F)C(C)(F)F.
What is the InChIKey of 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane?
The InChIKey is JLEKLQQARIYYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F4S/c1-15(2)11-8-6-4-5-7-9-13-22-14-10-12-17(20,21)16(3,18)19/h15H,4-14H2,1-3H3.
What are the key properties of 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane?
9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane has a molecular weight of 344.50 g/mol, XLogP of 7.18, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-(4,4,5,5-tetrafluorohexylsulfanyl)decane is sourced from PubChem (CID 159925774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).