1-fluoro-1-(1-fluoropropyldisulfanyl)propane

C6H12F2S2 — CID 87128275

IUPAC1-fluoro-1-(1-fluoropropyldisulfanyl)propane
SMILESCCC(F)SSC(F)CC
InChIInChI=1S/C6H12F2S2/c1-3-5(7)9-10-6(8)4-2/h5-6H,3-4H2,1-2H3
InChIKeyDSEGURLWXBUSCE-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.78
Rot. Bonds5

About 1-fluoro-1-(1-fluoropropyldisulfanyl)propane

1-fluoro-1-(1-fluoropropyldisulfanyl)propane (PubChem CID 87128275) has the molecular formula C6H12F2S2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-fluoro-1-(1-fluoropropyldisulfanyl)propane.

Molecular Properties

Compound Name1-fluoro-1-(1-fluoropropyldisulfanyl)propane
PubChem CID87128275
Molecular FormulaC6H12F2S2
Molecular Weight186.29 g/mol
Exact Mass186.03
IUPAC Name1-fluoro-1-(1-fluoropropyldisulfanyl)propane
SMILESCCC(F)SSC(F)CC
InChIInChI=1S/C6H12F2S2/c1-3-5(7)9-10-6(8)4-2/h5-6H,3-4H2,1-2H3
InChIKeyDSEGURLWXBUSCE-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.78
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

Trifluoromethyl butyl disulfide
CID 546629
Trifluoromethyl n-propyl disulfide
CID 550486
2-Fluoro-1-(2-fluoropropyldisulfanyl)propane
CID 13459592
Trifluoromethyl S-butyl disulfide
CID 545343
Trifluoromethyl isopropyl disulfide
CID 550487
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
3,3-Difluorobutane-1-thiol
CID 84647903
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
1-Fluoro-2-(1-fluoropropan-2-yldisulfanyl)propane
CID 87128227
1-Fluoro-1-(1-fluoroethyldisulfanyl)ethane
CID 87128335
1,1,1-Trifluoro-3-(4,4,4-trifluorobutan-2-yldisulfanyl)butane
CID 87128405
1-Fluoro-2-(2-fluoroethyldisulfanyl)ethane
CID 87128418

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-fluoropropyldisulfanyl)propane?
The IUPAC name of 1-fluoro-1-(1-fluoropropyldisulfanyl)propane (CID 87128275) is 1-fluoro-1-(1-fluoropropyldisulfanyl)propane.
What is the SMILES notation for 1-fluoro-1-(1-fluoropropyldisulfanyl)propane?
The canonical SMILES for 1-fluoro-1-(1-fluoropropyldisulfanyl)propane is CCC(F)SSC(F)CC.
What is the InChIKey of 1-fluoro-1-(1-fluoropropyldisulfanyl)propane?
The InChIKey is DSEGURLWXBUSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2S2/c1-3-5(7)9-10-6(8)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-1-(1-fluoropropyldisulfanyl)propane?
1-fluoro-1-(1-fluoropropyldisulfanyl)propane has a molecular weight of 186.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-fluoropropyldisulfanyl)propane is sourced from PubChem (CID 87128275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).