1-(ethyldisulfanyl)-2-fluorocyclohexane

C8H15FS2 — CID 87154656

IUPAC1-(ethyldisulfanyl)-2-fluorocyclohexane
SMILESCCSSC1CCCCC1F
InChIInChI=1S/C8H15FS2/c1-2-10-11-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyMAJXHNOZVRCFSV-UHFFFAOYSA-N
MW194.34 g/mol
LogP3.67
Rot. Bonds3

About 1-(ethyldisulfanyl)-2-fluorocyclohexane

1-(ethyldisulfanyl)-2-fluorocyclohexane (PubChem CID 87154656) has the molecular formula C8H15FS2 and a molecular weight of 194.34 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-2-fluorocyclohexane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-2-fluorocyclohexane
PubChem CID87154656
Molecular FormulaC8H15FS2
Molecular Weight194.34 g/mol
Exact Mass194.06
IUPAC Name1-(ethyldisulfanyl)-2-fluorocyclohexane
SMILESCCSSC1CCCCC1F
InChIInChI=1S/C8H15FS2/c1-2-10-11-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyMAJXHNOZVRCFSV-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Methyldisulfanyl)cyclohexane
CID 13627491
1-Fluoro-3-(methyldisulfanyl)cyclohexane
CID 87154396
1-Fluoro-4-(methyldisulfanyl)cyclohexane
CID 87154411
1-(Ethyldisulfanyl)-4-fluorocyclohexane
CID 87154655
1-Fluoro-2-(methyldisulfanyl)cyclohexane
CID 87154718
1-(Ethyldisulfanyl)-3-fluorocyclohexane
CID 87154811
1-(Disulfanyl)-4-fluorocyclohexane
CID 87424436
1-(Disulfanyl)-2-fluorocyclohexane
CID 87424806
1-(Disulfanyl)-3-fluorocyclohexane
CID 87424926
(Butyldisulfanyl)cyclohexane
CID 124139249
(Ethyldisulfanyl)cyclohexane
CID 13879822
(Methyltrisulfanyl)cyclohexane
CID 86037644

Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)-2-fluorocyclohexane?
The IUPAC name of 1-(ethyldisulfanyl)-2-fluorocyclohexane (CID 87154656) is 1-(ethyldisulfanyl)-2-fluorocyclohexane.
What is the SMILES notation for 1-(ethyldisulfanyl)-2-fluorocyclohexane?
The canonical SMILES for 1-(ethyldisulfanyl)-2-fluorocyclohexane is CCSSC1CCCCC1F.
What is the InChIKey of 1-(ethyldisulfanyl)-2-fluorocyclohexane?
The InChIKey is MAJXHNOZVRCFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FS2/c1-2-10-11-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3.
What are the key properties of 1-(ethyldisulfanyl)-2-fluorocyclohexane?
1-(ethyldisulfanyl)-2-fluorocyclohexane has a molecular weight of 194.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-2-fluorocyclohexane is sourced from PubChem (CID 87154656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).