2-(ethyldisulfanyl)-1-fluoropropane

C5H11FS2 — CID 87128535

IUPAC2-(ethyldisulfanyl)-1-fluoropropane
SMILESCCSSC(C)CF
InChIInChI=1S/C5H11FS2/c1-3-7-8-5(2)4-6/h5H,3-4H2,1-2H3
InChIKeyHFIHBALHURVLGD-UHFFFAOYSA-N
MW154.27 g/mol
LogP2.75
Rot. Bonds4

About 2-(ethyldisulfanyl)-1-fluoropropane

2-(ethyldisulfanyl)-1-fluoropropane (PubChem CID 87128535) has the molecular formula C5H11FS2 and a molecular weight of 154.27 g/mol. Its IUPAC name is 2-(ethyldisulfanyl)-1-fluoropropane.

Molecular Properties

Compound Name2-(ethyldisulfanyl)-1-fluoropropane
PubChem CID87128535
Molecular FormulaC5H11FS2
Molecular Weight154.27 g/mol
Exact Mass154.03
IUPAC Name2-(ethyldisulfanyl)-1-fluoropropane
SMILESCCSSC(C)CF
InChIInChI=1S/C5H11FS2/c1-3-7-8-5(2)4-6/h5H,3-4H2,1-2H3
InChIKeyHFIHBALHURVLGD-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.27
LogP ≤ 52.75
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

Dipropyl disulfide
CID 12377
Dipropyl trisulfide
CID 22383
Methyl propyl disulfide
CID 16592
Methyl propyl trisulfide
CID 5319765
Diisopropyl disulfide
CID 77932
Ethyl propyl disulfide
CID 35349
Butyl ethyl disulfide
CID 522111
Butyl methyl disulfide
CID 521941
Diisopropyl trisulfide
CID 80046
1-(Ethyltrisulfanyl)propane
CID 53425122
Isopropyl methyl disulfide
CID 123494
Ethyl isopropyl disulfide
CID 521477

Frequently Asked Questions

What is the IUPAC name of 2-(ethyldisulfanyl)-1-fluoropropane?
The IUPAC name of 2-(ethyldisulfanyl)-1-fluoropropane (CID 87128535) is 2-(ethyldisulfanyl)-1-fluoropropane.
What is the SMILES notation for 2-(ethyldisulfanyl)-1-fluoropropane?
The canonical SMILES for 2-(ethyldisulfanyl)-1-fluoropropane is CCSSC(C)CF.
What is the InChIKey of 2-(ethyldisulfanyl)-1-fluoropropane?
The InChIKey is HFIHBALHURVLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS2/c1-3-7-8-5(2)4-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-(ethyldisulfanyl)-1-fluoropropane?
2-(ethyldisulfanyl)-1-fluoropropane has a molecular weight of 154.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyldisulfanyl)-1-fluoropropane is sourced from PubChem (CID 87128535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).