1-(disulfanyl)-3-fluorocyclohexane

C6H11FS2 — CID 87424926

IUPAC1-(disulfanyl)-3-fluorocyclohexane
SMILESFC1CCCC(SS)C1
InChIInChI=1S/C6H11FS2/c7-5-2-1-3-6(4-5)9-8/h5-6,8H,1-4H2
InChIKeyWDUWYKBPIMKMKL-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.85
Rot. Bonds1

About 1-(disulfanyl)-3-fluorocyclohexane

1-(disulfanyl)-3-fluorocyclohexane (PubChem CID 87424926) has the molecular formula C6H11FS2 and a molecular weight of 166.29 g/mol. Its IUPAC name is 1-(disulfanyl)-3-fluorocyclohexane.

Molecular Properties

Compound Name1-(disulfanyl)-3-fluorocyclohexane
PubChem CID87424926
Molecular FormulaC6H11FS2
Molecular Weight166.29 g/mol
Exact Mass166.03
IUPAC Name1-(disulfanyl)-3-fluorocyclohexane
SMILESFC1CCCC(SS)C1
InChIInChI=1S/C6H11FS2/c7-5-2-1-3-6(4-5)9-8/h5-6,8H,1-4H2
InChIKeyWDUWYKBPIMKMKL-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Methyldisulfanyl)cyclohexane
CID 13627491
(Trifluoromethyldisulfanyl)cyclohexane
CID 10536700
4-Fluorocyclohexane-1-thiol
CID 18471947
1-Fluoro-3-(methyldisulfanyl)cyclohexane
CID 87154396
1-Fluoro-4-(methyldisulfanyl)cyclohexane
CID 87154411
1-(Ethyldisulfanyl)-4-fluorocyclohexane
CID 87154655
1-(Ethyldisulfanyl)-2-fluorocyclohexane
CID 87154656
1-Fluoro-2-(methyldisulfanyl)cyclohexane
CID 87154718
1-(Ethyldisulfanyl)-3-fluorocyclohexane
CID 87154811
1-(Disulfanyl)-4-fluorocyclohexane
CID 87424436
3-Fluorocyclohexane-1-thiol
CID 87424640
1-(Disulfanyl)-2-fluorocyclohexane
CID 87424806

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-3-fluorocyclohexane?
The IUPAC name of 1-(disulfanyl)-3-fluorocyclohexane (CID 87424926) is 1-(disulfanyl)-3-fluorocyclohexane.
What is the SMILES notation for 1-(disulfanyl)-3-fluorocyclohexane?
The canonical SMILES for 1-(disulfanyl)-3-fluorocyclohexane is FC1CCCC(SS)C1.
What is the InChIKey of 1-(disulfanyl)-3-fluorocyclohexane?
The InChIKey is WDUWYKBPIMKMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FS2/c7-5-2-1-3-6(4-5)9-8/h5-6,8H,1-4H2.
What are the key properties of 1-(disulfanyl)-3-fluorocyclohexane?
1-(disulfanyl)-3-fluorocyclohexane has a molecular weight of 166.29 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-3-fluorocyclohexane is sourced from PubChem (CID 87424926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).