1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane

C8H16F2S2 — CID 174460167

IUPAC1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane
SMILESCC(CF)CSSCC(C)CF
InChIInChI=1S/C8H16F2S2/c1-7(3-9)5-11-12-6-8(2)4-10/h7-8H,3-6H2,1-2H3
InChIKeySQNOFGXCBCKOOG-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.58
Rot. Bonds7

About 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane

1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane (PubChem CID 174460167) has the molecular formula C8H16F2S2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane.

Molecular Properties

Compound Name1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane
PubChem CID174460167
Molecular FormulaC8H16F2S2
Molecular Weight214.35 g/mol
Exact Mass214.07
IUPAC Name1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane
SMILESCC(CF)CSSCC(C)CF
InChIInChI=1S/C8H16F2S2/c1-7(3-9)5-11-12-6-8(2)4-10/h7-8H,3-6H2,1-2H3
InChIKeySQNOFGXCBCKOOG-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane?
The IUPAC name of 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane (CID 174460167) is 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane.
What is the SMILES notation for 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane?
The canonical SMILES for 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane is CC(CF)CSSCC(C)CF.
What is the InChIKey of 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane?
The InChIKey is SQNOFGXCBCKOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2S2/c1-7(3-9)5-11-12-6-8(2)4-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane?
1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane has a molecular weight of 214.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(3-fluoro-2-methylpropyl)disulfanyl]-2-methylpropane is sourced from PubChem (CID 174460167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).