5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol

C10H9F13S — CID 15545311

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCS
InChIInChI=1S/C10H9F13S/c11-5(12,3-1-2-4-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24H,1-4H2
InChIKeyAAPBZRZDDBJXSB-UHFFFAOYSA-N
MW408.22 g/mol
LogP5.83
Rot. Bonds8

About 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol

5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol (PubChem CID 15545311) has the molecular formula C10H9F13S and a molecular weight of 408.22 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol
PubChem CID15545311
Molecular FormulaC10H9F13S
Molecular Weight408.22 g/mol
Exact Mass408.02
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCS
InChIInChI=1S/C10H9F13S/c11-5(12,3-1-2-4-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24H,1-4H2
InChIKeyAAPBZRZDDBJXSB-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.22
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,2,2-Tetrahydroperfluorodecanethiol
CID 542755
2-(Perfluorohexyl)ethanethiol
CID 2776277
1,1,2,2-Tetrahydroperfluorododecanethiol
CID 14473341
Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) disulphide
CID 3016400
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
13,13,13-Trifluorotridecane-1-thiol
CID 22121617
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
Disulfide, bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)
CID 11764143

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol (CID 15545311) is 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCS.
What is the InChIKey of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol?
The InChIKey is AAPBZRZDDBJXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13S/c11-5(12,3-1-2-4-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24H,1-4H2.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol?
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol has a molecular weight of 408.22 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-1-thiol is sourced from PubChem (CID 15545311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).