1-(4,4,4-trifluorobutylsulfinyl)decane

C14H27F3OS — CID 19799157

IUPAC1-(4,4,4-trifluorobutylsulfinyl)decane
SMILESCCCCCCCCCCS(=O)CCCC(F)(F)F
InChIInChI=1S/C14H27F3OS/c1-2-3-4-5-6-7-8-9-12-19(18)13-10-11-14(15,16)17/h2-13H2,1H3
InChIKeyLKBFZMRPBULZKZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP5.22
Rot. Bonds12

About 1-(4,4,4-trifluorobutylsulfinyl)decane

1-(4,4,4-trifluorobutylsulfinyl)decane (PubChem CID 19799157) has the molecular formula C14H27F3OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutylsulfinyl)decane.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutylsulfinyl)decane
PubChem CID19799157
Molecular FormulaC14H27F3OS
Molecular Weight300.43 g/mol
Exact Mass300.17
IUPAC Name1-(4,4,4-trifluorobutylsulfinyl)decane
SMILESCCCCCCCCCCS(=O)CCCC(F)(F)F
InChIInChI=1S/C14H27F3OS/c1-2-3-4-5-6-7-8-9-12-19(18)13-10-11-14(15,16)17/h2-13H2,1H3
InChIKeyLKBFZMRPBULZKZ-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 55.22
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-(4,4,4-trifluorobutylsulfinyl)decane?
The IUPAC name of 1-(4,4,4-trifluorobutylsulfinyl)decane (CID 19799157) is 1-(4,4,4-trifluorobutylsulfinyl)decane.
What is the SMILES notation for 1-(4,4,4-trifluorobutylsulfinyl)decane?
The canonical SMILES for 1-(4,4,4-trifluorobutylsulfinyl)decane is CCCCCCCCCCS(=O)CCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutylsulfinyl)decane?
The InChIKey is LKBFZMRPBULZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3OS/c1-2-3-4-5-6-7-8-9-12-19(18)13-10-11-14(15,16)17/h2-13H2,1H3.
What are the key properties of 1-(4,4,4-trifluorobutylsulfinyl)decane?
1-(4,4,4-trifluorobutylsulfinyl)decane has a molecular weight of 300.43 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutylsulfinyl)decane is sourced from PubChem (CID 19799157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).