13,13,13-trifluorotridecane-1-thiol

C13H25F3S — CID 22121617

IUPAC13,13,13-trifluorotridecane-1-thiol
SMILESFC(F)(F)CCCCCCCCCCCCS
InChIInChI=1S/C13H25F3S/c14-13(15,16)11-9-7-5-3-1-2-4-6-8-10-12-17/h17H,1-12H2
InChIKeyMDTGEIZLPBDART-UHFFFAOYSA-N
MW270.40 g/mol
LogP5.77
Rot. Bonds11

About 13,13,13-trifluorotridecane-1-thiol

13,13,13-trifluorotridecane-1-thiol (PubChem CID 22121617) has the molecular formula C13H25F3S and a molecular weight of 270.40 g/mol. Its IUPAC name is 13,13,13-trifluorotridecane-1-thiol.

Molecular Properties

Compound Name13,13,13-trifluorotridecane-1-thiol
PubChem CID22121617
Molecular FormulaC13H25F3S
Molecular Weight270.40 g/mol
Exact Mass270.16
IUPAC Name13,13,13-trifluorotridecane-1-thiol
SMILESFC(F)(F)CCCCCCCCCCCCS
InChIInChI=1S/C13H25F3S/c14-13(15,16)11-9-7-5-3-1-2-4-6-8-10-12-17/h17H,1-12H2
InChIKeyMDTGEIZLPBDART-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.40
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2-Tetrahydroperfluorodecanethiol
CID 542755
2-(Perfluorohexyl)ethanethiol
CID 2776277
1,1,2,2-Tetrahydroperfluorododecanethiol
CID 14473341
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-Heptadecafluorononadecanethiol
CID 88882798
Thiols, C10-20, gamma-omega-perfluoro
CID 109608
16,16,16-Trifluorohexadecane-1-thiol
CID 71358276
1-Tetradecanethiol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro-
CID 549865
12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoro-1-heptadecanethiol
CID 102375210
11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-Heptadecafluorooctadecane-1-thiol
CID 11456105
Trifluoromethylsulfanylcyclododecane
CID 176438259
1-(Trifluoromethyldisulfanyl)octane
CID 10490681
10,10,10-Trifluoro-1-decanethiol
CID 10236132

Frequently Asked Questions

What is the IUPAC name of 13,13,13-trifluorotridecane-1-thiol?
The IUPAC name of 13,13,13-trifluorotridecane-1-thiol (CID 22121617) is 13,13,13-trifluorotridecane-1-thiol.
What is the SMILES notation for 13,13,13-trifluorotridecane-1-thiol?
The canonical SMILES for 13,13,13-trifluorotridecane-1-thiol is FC(F)(F)CCCCCCCCCCCCS.
What is the InChIKey of 13,13,13-trifluorotridecane-1-thiol?
The InChIKey is MDTGEIZLPBDART-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3S/c14-13(15,16)11-9-7-5-3-1-2-4-6-8-10-12-17/h17H,1-12H2.
What are the key properties of 13,13,13-trifluorotridecane-1-thiol?
13,13,13-trifluorotridecane-1-thiol has a molecular weight of 270.40 g/mol, XLogP of 5.77, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13,13-trifluorotridecane-1-thiol is sourced from PubChem (CID 22121617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).