1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane

C10H20F2S2 — CID 87130255

IUPAC1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane
SMILESCCC(C)(CF)SSC(C)(CC)CF
InChIInChI=1S/C10H20F2S2/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-8H2,1-4H3
InChIKeyFPRBWVNIPWOUEB-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.64
Rot. Bonds7

About 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane

1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane (PubChem CID 87130255) has the molecular formula C10H20F2S2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane.

Molecular Properties

Compound Name1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane
PubChem CID87130255
Molecular FormulaC10H20F2S2
Molecular Weight242.40 g/mol
Exact Mass242.10
IUPAC Name1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane
SMILESCCC(C)(CF)SSC(C)(CC)CF
InChIInChI=1S/C10H20F2S2/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-8H2,1-4H3
InChIKeyFPRBWVNIPWOUEB-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane?
The IUPAC name of 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane (CID 87130255) is 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane.
What is the SMILES notation for 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane?
The canonical SMILES for 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane is CCC(C)(CF)SSC(C)(CC)CF.
What is the InChIKey of 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane?
The InChIKey is FPRBWVNIPWOUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2S2/c1-5-9(3,7-11)13-14-10(4,6-2)8-12/h5-8H2,1-4H3.
What are the key properties of 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane?
1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane has a molecular weight of 242.40 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(1-fluoro-2-methylbutan-2-yl)disulfanyl]-2-methylbutane is sourced from PubChem (CID 87130255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).