1,1,2,6,6,6-hexafluorohexane-1-thiol

C6H8F6S — CID 151631640

IUPAC1,1,2,6,6,6-hexafluorohexane-1-thiol
SMILESFC(CCCC(F)(F)F)C(F)(F)S
InChIInChI=1S/C6H8F6S/c7-4(6(11,12)13)2-1-3-5(8,9)10/h4,13H,1-3H2
InChIKeyACMNESKLCFYDLW-UHFFFAOYSA-N
MW226.18 g/mol
LogP3.58
Rot. Bonds4

About 1,1,2,6,6,6-hexafluorohexane-1-thiol

1,1,2,6,6,6-hexafluorohexane-1-thiol (PubChem CID 151631640) has the molecular formula C6H8F6S and a molecular weight of 226.18 g/mol. Its IUPAC name is 1,1,2,6,6,6-hexafluorohexane-1-thiol.

Molecular Properties

Compound Name1,1,2,6,6,6-hexafluorohexane-1-thiol
PubChem CID151631640
Molecular FormulaC6H8F6S
Molecular Weight226.18 g/mol
Exact Mass226.03
IUPAC Name1,1,2,6,6,6-hexafluorohexane-1-thiol
SMILESFC(CCCC(F)(F)F)C(F)(F)S
InChIInChI=1S/C6H8F6S/c7-4(6(11,12)13)2-1-3-5(8,9)10/h4,13H,1-3H2
InChIKeyACMNESKLCFYDLW-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2,2,3,3,4,4,5,9,9,9-decafluoro-1-(tetrafluoro-λ6-sulfanylidene)nonyl] hypofluorite
CID 88735724
[2,2,3,3,4,4,5,5,6,10,10,10-dodecafluoro-1-(tetrafluoro-λ6-sulfanylidene)decyl] hypofluorite
CID 88736255
1,1,2,2,3,12,12,12-octafluorododecan-1-amine
CID 175157299
CID 166065066
CID 166065066
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,10,10,10-tetradecafluorodecane-1-sulfonic acid
CID 171922704
azane;1,1,2,2,3,3,4,4,5,12,12,12-dodecafluorododecane-1-sulfonic acid
CID 175157494
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
potassium 1,1,1,9,10,10-hexafluorodecane
CID 150839459
azanium 1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492353
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
N-methylmethanamine;1,1,2,2,3,8,8,8-octafluorooctane-1-sulfonic acid
CID 171922879
1,1,1,7,7,7-hexafluoro-2-methylheptane
CID 175563823

Frequently Asked Questions

What is the IUPAC name of 1,1,2,6,6,6-hexafluorohexane-1-thiol?
The IUPAC name of 1,1,2,6,6,6-hexafluorohexane-1-thiol (CID 151631640) is 1,1,2,6,6,6-hexafluorohexane-1-thiol.
What is the SMILES notation for 1,1,2,6,6,6-hexafluorohexane-1-thiol?
The canonical SMILES for 1,1,2,6,6,6-hexafluorohexane-1-thiol is FC(CCCC(F)(F)F)C(F)(F)S.
What is the InChIKey of 1,1,2,6,6,6-hexafluorohexane-1-thiol?
The InChIKey is ACMNESKLCFYDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6S/c7-4(6(11,12)13)2-1-3-5(8,9)10/h4,13H,1-3H2.
What are the key properties of 1,1,2,6,6,6-hexafluorohexane-1-thiol?
1,1,2,6,6,6-hexafluorohexane-1-thiol has a molecular weight of 226.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,6,6,6-hexafluorohexane-1-thiol is sourced from PubChem (CID 151631640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).