2,3,4,5,6-pentafluorocyclohexane-1-thiol

C6H7F5S — CID 5246782

IUPAC2,3,4,5,6-pentafluorocyclohexane-1-thiol
SMILESFC1C(F)C(F)C(S)C(F)C1F
InChIInChI=1S/C6H7F5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,12H
InChIKeyMAMROYQINMWGMK-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.99
Rot. Bonds

About 2,3,4,5,6-pentafluorocyclohexane-1-thiol

2,3,4,5,6-pentafluorocyclohexane-1-thiol (PubChem CID 5246782) has the molecular formula C6H7F5S and a molecular weight of 206.18 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorocyclohexane-1-thiol.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorocyclohexane-1-thiol
PubChem CID5246782
Molecular FormulaC6H7F5S
Molecular Weight206.18 g/mol
Exact Mass206.02
IUPAC Name2,3,4,5,6-pentafluorocyclohexane-1-thiol
SMILESFC1C(F)C(F)C(S)C(F)C1F
InChIInChI=1S/C6H7F5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,12H
InChIKeyMAMROYQINMWGMK-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.99
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-(Perfluorobutyl)ethanethiol
CID 109607
4,4-Difluorocyclohexane-1-thiol
CID 117899709
4-Fluorocyclohexane-1-thiol
CID 18471947
4,4,5,5,6,6,6-Heptafluorohexane-1-thiol
CID 20130124
3-Fluorocyclohexane-1-thiol
CID 87424640
2-Fluorocyclohexane-1-thiol
CID 87425077
1,3,3,4,4,5,5,6,6,6-Decafluorohexane-1-thiol
CID 87746884
2,2-Difluorocyclohexane-1-thiol
CID 87774264
1,2,2,3,3-Pentafluorocyclohexane-1-thiol
CID 88718360
1,2,3,4,5-Pentafluoropentane-1-thiol
CID 122409751
Pentafluoro-(4-fluorocyclohexyl)-lambda6-sulfane
CID 140478606
Pentafluoro-(2,4,6-trifluorocyclohexyl)-lambda6-sulfane
CID 140507528

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluorocyclohexane-1-thiol?
The IUPAC name of 2,3,4,5,6-pentafluorocyclohexane-1-thiol (CID 5246782) is 2,3,4,5,6-pentafluorocyclohexane-1-thiol.
What is the SMILES notation for 2,3,4,5,6-pentafluorocyclohexane-1-thiol?
The canonical SMILES for 2,3,4,5,6-pentafluorocyclohexane-1-thiol is FC1C(F)C(F)C(S)C(F)C1F.
What is the InChIKey of 2,3,4,5,6-pentafluorocyclohexane-1-thiol?
The InChIKey is MAMROYQINMWGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,12H.
What are the key properties of 2,3,4,5,6-pentafluorocyclohexane-1-thiol?
2,3,4,5,6-pentafluorocyclohexane-1-thiol has a molecular weight of 206.18 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorocyclohexane-1-thiol is sourced from PubChem (CID 5246782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).