1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol

C6H4F10S — CID 87746884

IUPAC1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol
SMILESFC(S)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10S/c7-2(17)1-3(8,9)4(10,11)5(12,13)6(14,15)16/h2,17H,1H2
InChIKeyROSJRKUGGJLSKD-UHFFFAOYSA-N
MW298.15 g/mol
LogP4.07
Rot. Bonds4

About 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol

1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol (PubChem CID 87746884) has the molecular formula C6H4F10S and a molecular weight of 298.15 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol
PubChem CID87746884
Molecular FormulaC6H4F10S
Molecular Weight298.15 g/mol
Exact Mass297.99
IUPAC Name1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol
SMILESFC(S)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10S/c7-2(17)1-3(8,9)4(10,11)5(12,13)6(14,15)16/h2,17H,1H2
InChIKeyROSJRKUGGJLSKD-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3,3,4,4,5,5,6,6,6-decafluorohexane-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
2-(Perfluorobutyl)ethanethiol
CID 109607
1,1,2,2-Tetrahydroperfluorododecanethiol
CID 14473341
3,3,4,4,4-Pentafluorobutane-1-thiol
CID 109606
4,4,4-Trifluorobutane-1-thiol
CID 21255083
Thiols, C10-20, gamma-omega-perfluoro
CID 109608
4,4,5,5,5-Pentafluoropentane-1-thiol
CID 11138000
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
Nonafluoro-1-hexanethiol
CID 140806510
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
2,3,4,5,6-Pentafluorocyclohexane-1-thiol
CID 5246782

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol?
The IUPAC name of 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol (CID 87746884) is 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol?
The canonical SMILES for 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol is FC(S)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol?
The InChIKey is ROSJRKUGGJLSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10S/c7-2(17)1-3(8,9)4(10,11)5(12,13)6(14,15)16/h2,17H,1H2.
What are the key properties of 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol?
1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol has a molecular weight of 298.15 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5,6,6,6-decafluorohexane-1-thiol is sourced from PubChem (CID 87746884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).