10,10,10-trifluorodecane-1-thiol

C10H19F3S — CID 10236132

IUPAC10,10,10-trifluorodecane-1-thiol
SMILESFC(F)(F)CCCCCCCCCS
InChIInChI=1S/C10H19F3S/c11-10(12,13)8-6-4-2-1-3-5-7-9-14/h14H,1-9H2
InChIKeyGCPMVQGLEVYXHY-UHFFFAOYSA-N
MW228.32 g/mol
LogP4.60
Rot. Bonds8

About 10,10,10-trifluorodecane-1-thiol

10,10,10-trifluorodecane-1-thiol (PubChem CID 10236132) has the molecular formula C10H19F3S and a molecular weight of 228.32 g/mol. Its IUPAC name is 10,10,10-trifluorodecane-1-thiol.

Molecular Properties

Compound Name10,10,10-trifluorodecane-1-thiol
PubChem CID10236132
Molecular FormulaC10H19F3S
Molecular Weight228.32 g/mol
Exact Mass228.12
IUPAC Name10,10,10-trifluorodecane-1-thiol
SMILESFC(F)(F)CCCCCCCCCS
InChIInChI=1S/C10H19F3S/c11-10(12,13)8-6-4-2-1-3-5-7-9-14/h14H,1-9H2
InChIKeyGCPMVQGLEVYXHY-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 54.60
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
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
Trifluoromethylsulfanylcyclododecane
CID 176438259
1-(Trifluoromethyldisulfanyl)octane
CID 10490681

Frequently Asked Questions

What is the IUPAC name of 10,10,10-trifluorodecane-1-thiol?
The IUPAC name of 10,10,10-trifluorodecane-1-thiol (CID 10236132) is 10,10,10-trifluorodecane-1-thiol.
What is the SMILES notation for 10,10,10-trifluorodecane-1-thiol?
The canonical SMILES for 10,10,10-trifluorodecane-1-thiol is FC(F)(F)CCCCCCCCCS.
What is the InChIKey of 10,10,10-trifluorodecane-1-thiol?
The InChIKey is GCPMVQGLEVYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3S/c11-10(12,13)8-6-4-2-1-3-5-7-9-14/h14H,1-9H2.
What are the key properties of 10,10,10-trifluorodecane-1-thiol?
10,10,10-trifluorodecane-1-thiol has a molecular weight of 228.32 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,10-trifluorodecane-1-thiol is sourced from PubChem (CID 10236132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).