(4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite

C8H13FOS — CID 86060116

IUPAC(4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite
SMILESFOC12CCC(S)(CC1)CC2
InChIInChI=1S/C8H13FOS/c9-10-7-1-4-8(11,5-2-7)6-3-7/h11H,1-6H2
InChIKeyTYSLXYSRBYRGQD-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.66
Rot. Bonds1

About (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite

(4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite (PubChem CID 86060116) has the molecular formula C8H13FOS and a molecular weight of 176.26 g/mol. Its IUPAC name is (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite.

Molecular Properties

Compound Name(4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite
PubChem CID86060116
Molecular FormulaC8H13FOS
Molecular Weight176.26 g/mol
Exact Mass176.07
IUPAC Name(4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite
SMILESFOC12CCC(S)(CC1)CC2
InChIInChI=1S/C8H13FOS/c9-10-7-1-4-8(11,5-2-7)6-3-7/h11H,1-6H2
InChIKeyTYSLXYSRBYRGQD-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite?
The IUPAC name of (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite (CID 86060116) is (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite.
What is the SMILES notation for (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite?
The canonical SMILES for (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite is FOC12CCC(S)(CC1)CC2.
What is the InChIKey of (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite?
The InChIKey is TYSLXYSRBYRGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FOS/c9-10-7-1-4-8(11,5-2-7)6-3-7/h11H,1-6H2.
What are the key properties of (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite?
(4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite has a molecular weight of 176.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfanyl-1-bicyclo[2.2.2]octanyl) hypofluorite is sourced from PubChem (CID 86060116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).