1-(disulfanyl)-4-fluorocyclohexane

C6H11FS2 — CID 87424436

IUPAC1-(disulfanyl)-4-fluorocyclohexane
SMILESFC1CCC(SS)CC1
InChIInChI=1S/C6H11FS2/c7-5-1-3-6(9-8)4-2-5/h5-6,8H,1-4H2
InChIKeyFOPIJQQPNXXDQD-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.85
Rot. Bonds1

About 1-(disulfanyl)-4-fluorocyclohexane

1-(disulfanyl)-4-fluorocyclohexane (PubChem CID 87424436) has the molecular formula C6H11FS2 and a molecular weight of 166.29 g/mol. Its IUPAC name is 1-(disulfanyl)-4-fluorocyclohexane.

Molecular Properties

Compound Name1-(disulfanyl)-4-fluorocyclohexane
PubChem CID87424436
Molecular FormulaC6H11FS2
Molecular Weight166.29 g/mol
Exact Mass166.03
IUPAC Name1-(disulfanyl)-4-fluorocyclohexane
SMILESFC1CCC(SS)CC1
InChIInChI=1S/C6H11FS2/c7-5-1-3-6(9-8)4-2-5/h5-6,8H,1-4H2
InChIKeyFOPIJQQPNXXDQD-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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Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-4-fluorocyclohexane?
The IUPAC name of 1-(disulfanyl)-4-fluorocyclohexane (CID 87424436) is 1-(disulfanyl)-4-fluorocyclohexane.
What is the SMILES notation for 1-(disulfanyl)-4-fluorocyclohexane?
The canonical SMILES for 1-(disulfanyl)-4-fluorocyclohexane is FC1CCC(SS)CC1.
What is the InChIKey of 1-(disulfanyl)-4-fluorocyclohexane?
The InChIKey is FOPIJQQPNXXDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FS2/c7-5-1-3-6(9-8)4-2-5/h5-6,8H,1-4H2.
What are the key properties of 1-(disulfanyl)-4-fluorocyclohexane?
1-(disulfanyl)-4-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)-4-fluorocyclohexane is sourced from PubChem (CID 87424436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).