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

C6H2F10S — CID 174308304

IUPAC2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol
SMILESFC1(F)C(S)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F10S/c7-2(8)1(17)3(9,10)5(13,14)6(15,16)4(2,11)12/h1,17H
InChIKeyCZAAOPNPCBPHLH-UHFFFAOYSA-N
MW296.13 g/mol
LogP3.47
Rot. Bonds

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

2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol (PubChem CID 174308304) has the molecular formula C6H2F10S and a molecular weight of 296.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol
PubChem CID174308304
Molecular FormulaC6H2F10S
Molecular Weight296.13 g/mol
Exact Mass295.97
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol
SMILESFC1(F)C(S)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H2F10S/c7-2(8)1(17)3(9,10)5(13,14)6(15,16)4(2,11)12/h1,17H
InChIKeyCZAAOPNPCBPHLH-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 53.47
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'}

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Related Compounds

2-(Perfluorobutyl)ethanethiol
CID 109607
4,4-Difluorocyclohexane-1-thiol
CID 117899709
2,3,4,5,6-Pentafluorocyclohexane-1-thiol
CID 5246782
2,2,3,3,4,4,5,5,5-Nonafluoropentane-1-thiol
CID 14492232
4,4,5,5,6,6,6-Heptafluorohexane-1-thiol
CID 20130124
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155363
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
(1R)-2,2-difluorocyclohexane-1-thiol
CID 154971170
3,3,4,4,5,5,6,6-Octafluorohexane-1-thiol
CID 170689661
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptane-1-thiol
CID 11451409

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol (CID 174308304) is 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol is FC1(F)C(S)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol?
The InChIKey is CZAAOPNPCBPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10S/c7-2(8)1(17)3(9,10)5(13,14)6(15,16)4(2,11)12/h1,17H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol?
2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol has a molecular weight of 296.13 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluorocyclohexane-1-thiol is sourced from PubChem (CID 174308304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).